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1-(4-fluorophenyl)-1-(3-(methylamino)propyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
SpectraBase Compound ID 4bxeqcvQY0P
InChI InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3
InChIKey PTJADDMMFYXMMG-UHFFFAOYSA-N
Mol Weight 310.37 g/mol
Molecular Formula C19H19FN2O
Exact Mass 310.148141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JG7k2KVDUCO
Name Citalopram-M (Nor)
Classification Pharmaceutical drug metabolite
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 310.148141402 u
Formula C19H19FN2O
InChI InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3
InChIKey PTJADDMMFYXMMG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 310.372 g/mol
Nominal Mass 310 u
Quality 999
Retention Index 2444
SMILES C1(C=2C(=CC(=CC2)C#N)CO1)(C=1C=CC(=CC1)F)CCCNC
SPLASH splash10-0006-9440000000-4154eb1d991c5a42f832
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Norcitalopram 1-(4-fluorophenyl)-1-(3-(methylamino)propyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
Technique GC/MS
Wiley ID DD2024_011681