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Flupirtine-M (Desethoxycarbonyl) 3AC
SpectraBase Compound ID HZNSpIgUf84
InChI InChI=1S/C18H19FN4O3/c1-11(24)20-16-8-9-17(22-18(16)21-12(2)25)23(13(3)26)10-14-4-6-15(19)7-5-14/h4-9H,10H2,1-3H3,(H,20,24)(H,21,22,25)
InChIKey RMDCJWGTKKXRJH-UHFFFAOYSA-N
Mol Weight 358.37 g/mol
Molecular Formula C18H19FN4O3
Exact Mass 358.144119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGN6qiHkJdY
Name Flupirtine-M (Desethoxycarbonyl) 3AC
Classification Pharmaceutical drug metabolite
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 358.144118648 u
Formula C18H19FN4O3
InChI InChI=1S/C18H19FN4O3/c1-11(24)20-16-8-9-17(22-18(16)21-12(2)25)23(13(3)26)10-14-4-6-15(19)7-5-14/h4-9H,10H2,1-3H3,(H,20,24)(H,21,22,25)
InChIKey RMDCJWGTKKXRJH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 358.373 g/mol
Nominal Mass 358 u
Quality 990
Retention Index 2957
SMILES C1(=C(NC(=O)C)C=CC(N(CC=2C=CC(=CC2)F)C(=O)C)=N1)NC(=O)C
SPLASH splash10-0600-7985000000-6571575d2e160d9ef698
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-(acetylamino)-6-(acetyl(4-fluorobenzyl)amino)pyridin-3-yl)acetamide
Technique GC/MS
Wiley ID DD2024_033784