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Phenformin-A (-H2O) 2AC I
SpectraBase Compound ID 2cDRUcWQsQo
InChI InChI=1S/C14H17N5O/c1-10-16-13(19-14(17-10)18-11(2)20)15-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H2,15,16,17,18,19,20)
InChIKey SNLAOQRPQFSJRM-UHFFFAOYSA-N
Mol Weight 271.32 g/mol
Molecular Formula C14H17N5O
Exact Mass 271.14331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ksIotdEiqO
Name Phenformin-A (-H2O) 2AC I
Classification Pharmaceutical drug metabolite, artifact derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 271.143310186 u
Formula C14H17N5O
InChI InChI=1S/C14H17N5O/c1-10-16-13(19-14(17-10)18-11(2)20)15-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H2,15,16,17,18,19,20)
InChIKey SNLAOQRPQFSJRM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 271.324 g/mol
Nominal Mass 271 u
Quality 979
Retention Index 2219
SMILES C=1(NC(=N\C(N1)=N/CCC=1C=CC=CC1)C)NC(=O)C
SPLASH splash10-000l-5920000000-b320b7a71b2c2c5cf441
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-((4E)-6-methyl-4-((2-phenylethyl)imino)-1,4-dihydro-1,3,5-triazin-2-yl)acetamide
Technique GC/MS
Wiley ID DD2024_008055