Impurity
Compound with spectra: 1 NMR, and 5 MS (GC)
| SpectraBase Compound ID | 3gFwDUpuWcH |
|---|---|
| InChI | InChI=1S/C31H38N2O3/c1-31(2,36-34)26-14-15-27(35-3)25(20-26)21-32-29-24-16-18-33(19-17-24)30(29)28(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,24,28-30,32,34H,16-19,21H2,1-3H3/t29-,30-/m0/s1 |
| InChIKey | XSFMBIVPADZYFR-KYJUHHDHSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H38N2O3 |
| Exact Mass | 486.288243 g/mol |
| Enantiomer InChIKey | XSFMBIVPADZYFR-LOYHVIPDSA-N |
| Copyright | Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique | GC/MS |
| Copyright | Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique | GC/MS |
| Copyright | Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique | GC/MS |
| Copyright | Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique | GC/MS |
| Copyright | Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique | GC/MS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
cis-3-(Diphenylmethyl)octahydro-N-[(2-methoxyphenyl)methyl]-2,5-methano-2H-2-pyrindin-4-amine
(3S,4S)-4-(Diphenylmethyl)octahydro-N-[(2-methoxyphenyl)methyl]-2,6-methano-2H-quinolizin-3-amine
((8S,9S)-8-Benzhydryl-7-aza-tricyclo[4.3.1.0*3,7*]dec-9-yl)-(2-methoxy-benzyl)-amine
((9S,10S)-9-Benzhydryl-8-aza-tricyclo[5.3.1.0*3,8*]undec-10-yl)-(2-trifluoromethyl-benzyl)-amine
cis-3-(Diphenylethylene)octahydro-N-[(2-chlorophenylmethyl]-1H-2,5-methanoisoquinolin-4-amine
(2S,3S,4S)-N-Benzyl-4-isopropenyl-3-(2-methoxybenzylamino)-2-phenylpiperidine
Tricarbonylruthenium-[1-(1,4-dimethyl-5,7-diphenyl-1,2,3,4-tetrahydro-6H-cyclopenta[b]pyrazin-6-ylidene)pyrrolidin-1-ium]tetrafluoroborate
tert-Butyl (2S,3S)-3-{[2-Methoxy-5-(trifluoromethoxy)benzylamino}-2-phenyl-1-piperidinecarboxylate
1H-Benz[e]indole, 3-ethyl-2,3,3a,4,5,9b-hexahydro-5-phenyl-, (3a.alpha.,5.beta.,9b.alpha.)-(.+-.)-
5-tButyl-1,2-[(diphenylmethylene)dioxy]-3-(N-morpholinomethyl)benzene
| Title | Journal or Book | Year |
|---|---|---|
| Identification of the degradation product of ezlopitant, a non-peptidic substance p antagonist receptor, by hydrogen deuterium exchange, electrospray ionization tandem mass spectrometry (ESI/MS/MS) and nuclear magnetic resonance (NMR) spectroscopy | Journal of Pharmaceutical and Biomedical Analysis | 2003 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition
Author: Hans H. Maurer, Markus Meyer, Karl Pfleger, Armin A. Weber
Identification of trace drugs, poisons, and pollutants requires broad coverage of specific compound classes: metabolites, acetylated, methylated, trimethylsilylated, trifluoroacetylated, pentafluoropropionylated, and heptafluorobutyrylated compounds. Learn more.