| SpectraBase Spectrum ID |
2pTBJ5lJkYK |
| Name |
Citalopram-M (Nor) AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
352.158706085 u |
| Formula |
C21H21FN2O2 |
| InChI |
InChI=1S/C21H21FN2O2/c1-15(25)24(2)11-3-10-21(18-5-7-19(22)8-6-18)20-9-4-16(13-23)12-17(20)14-26-21/h4-9,12H,3,10-11,14H2,1-2H3 |
| InChIKey |
XSYWUOFETHDSCD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
352.409 g/mol |
| Nominal Mass |
352 u |
| Quality |
995 |
| Retention Index |
2870 |
| SMILES |
C1(C=2C(CO1)=CC(=CC2)C#N)(C=1C=CC(=CC1)F)CCCN(C(=O)C)C |
| SPLASH |
splash10-000i-5390000000-93b1443a6a97c1d32892 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Norcitalopram AC
N-(3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl)propyl)-N-methylacetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033540 |
