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Pentoxifylline-M (2OH) 2AC II
SpectraBase Compound ID EpqagTv1wYi
InChI InChI=1S/C17H24N4O6/c1-10(26-11(2)22)8-13(27-12(3)23)6-7-21-16(24)14-15(18-9-19(14)4)20(5)17(21)25/h9-10,13H,6-8H2,1-5H3
InChIKey MLTQSNVGXSKBIV-UHFFFAOYSA-N
Mol Weight 380.4 g/mol
Molecular Formula C17H24N4O6
Exact Mass 380.169585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kLltKCl7OC
Name Pentoxifylline-M (2OH) 2AC II
Classification Pharmaceutical drug metabolite derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 380.169584503 u
Formula C17H24N4O6
InChI InChI=1S/C17H24N4O6/c1-10(26-11(2)22)8-13(27-12(3)23)6-7-21-16(24)14-15(18-9-19(14)4)20(5)17(21)25/h9-10,13H,6-8H2,1-5H3
InChIKey MLTQSNVGXSKBIV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 380.401 g/mol
Nominal Mass 380 u
Quality 933
Retention Index 3010
SMILES C12=C(N(C(N(C2=O)CCC(CC(OC(=O)C)C)OC(=O)C)=O)C)N=CN1C
SPLASH splash10-001i-1940000000-507b4be6687fb087eb14
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-(acetyloxy)-6-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)hexan-2-yl acetate
Technique GC/MS
Wiley ID DD2024_007834