| SpectraBase Spectrum ID |
2mcvWBD3xHU |
| 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 |
995 |
| Retention Index |
2414 |
| SMILES |
C1(C=2C(CO1)=CC(=CC2)C#N)(C=1C=CC(=CC1)F)CCCN |
| SPLASH |
splash10-000i-5390000000-c78418bcc96cad9f6800 |
| 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_008087 |
