| SpectraBase Spectrum ID |
JFr7dknuWB6 |
| Name |
Citalopram-M (Bisnor) AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
338.143056021 u |
| Formula |
C20H19FN2O2 |
| InChI |
InChI=1S/C20H19FN2O2/c1-14(24)23-10-2-9-20(17-4-6-18(21)7-5-17)19-8-3-15(12-22)11-16(19)13-25-20/h3-8,11H,2,9-10,13H2,1H3,(H,23,24) |
| InChIKey |
MJXCQDCWTBXXPG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
338.382 g/mol |
| Nominal Mass |
338 u |
| Quality |
981 |
| Retention Index |
2850 |
| SMILES |
C1(C=2C(CO1)=CC(=CC2)C#N)(C=1C=CC(=CC1)F)CCCNC(=O)C |
| SPLASH |
splash10-000i-1190000000-a373b2aa4f8398f31829 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Didesmethylcitalopram AC
N-(3-[5-Cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]propyl)acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008074 |
