SpectraBase Spectrum ID |
2mPoVCW1jbU |
Name |
Citalopram-M (Bisnor) |
Classification |
Pharmaceutical drug metabolite |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
296.132491337 u |
Formula |
C18H17FN2O |
InChI |
InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2 |
InChIKey |
RKUKMUWCRLRPEJ-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
296.345 g/mol |
Nominal Mass |
296 u |
Quality |
999 |
Retention Index |
2414 |
SMILES |
C1(C=2C(CO1)=CC(=CC2)C#N)(C=1C=CC(=CC1)F)CCCN |
SPLASH |
splash10-000i-3590000000-02b08333e607ee4915e7 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile |
Technique |
GC/MS |
Wiley ID |
DD2024_011679 |