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Trimethoprim-M (3O-desmethyl) AC
SpectraBase Compound ID 1oOkjKMJMpO
InChI InChI=1S/C15H18N4O4/c1-8(20)18-15-17-7-10(14(16)19-15)4-9-5-11(21)13(23-3)12(6-9)22-2/h5-7,21H,4H2,1-3H3,(H3,16,17,18,19,20)
InChIKey JJQMRYUBKGEFFU-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C15H18N4O4
Exact Mass 318.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnMG9FAUVK9
Name Trimethoprim-M (3O-desmethyl) AC
Classification Drug metabolite
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 318.132805072 u
Formula C15H18N4O4
InChI InChI=1S/C15H18N4O4/c1-8(20)18-15-17-7-10(14(16)19-15)4-9-5-11(21)13(23-3)12(6-9)22-2/h5-7,21H,4H2,1-3H3,(H3,16,17,18,19,20)
InChIKey JJQMRYUBKGEFFU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 318.333 g/mol
Nominal Mass 318 u
Quality 898
Retention Index 2634
SMILES OC=1C(=C(C=C(CC=2C(=NC(=NC2)NC(=O)C)N)C1)OC)OC
SPLASH splash10-0i00-0396000000-68951e4734693fcbda7d
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(4-amino-5-(3-hydroxy-4,5-dimethoxybenzyl)pyrimidin-2-yl)acetamide
Technique GC/MS
Wiley ID DD2024_004136