| SpectraBase Spectrum ID |
JFGzACP1pLM |
| Name |
Citalopram |
| CAS Registry Number |
59729-33-8 |
| Classification |
Pharmaceutical drug, sympathomimetic, antidepressant |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
324.163791466 u |
| Formula |
C20H21FN2O |
| InChI |
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 |
| InChIKey |
WSEQXVZVJXJVFP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
324.399 g/mol |
| Nominal Mass |
324 u |
| Quality |
995 |
| Retention Index |
2402 |
| SMILES |
C1(C=2C(CO1)=CC(=CC2)C#N)(C=1C=CC(=CC1)F)CCCN(C)C |
| SPLASH |
splash10-0a4i-9120000000-c0f1e05f39159620f420 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Norcitalopram ME
1-(3-Dimethylaminopropyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033602 |
