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Citalopram-M (Bisnor) AC
SpectraBase Compound ID 8NQDkCygutv
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
Mol Weight 338.38 g/mol
Molecular Formula C20H19FN2O2
Exact Mass 338.143056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJGw9i2m9IW
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 753
Retention Index 2850
SMILES C1(C=2C(CO1)=CC(=CC2)C#N)(C=1C=CC(=CC1)F)CCCNC(=O)C
SPLASH splash10-000i-0290000000-23d59078799763fa4940
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_000717