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Dobutamine-M (O-Me) 2AC
SpectraBase Compound ID JNlSTrNTwHM
InChI InChI=1S/C23H29NO5/c1-16(5-6-19-7-10-21(27)11-8-19)24(17(2)25)14-13-20-9-12-22(29-18(3)26)23(15-20)28-4/h7-12,15-16,27H,5-6,13-14H2,1-4H3
InChIKey VVTYJCCDMVNSOM-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C23H29NO5
Exact Mass 399.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NZ25KHEC5o
Name Dobutamine-M (O-Me) 2AC
Classification Pharmaceutical drug metabolite derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 399.204573033 u
Formula C23H29NO5
InChI InChI=1S/C23H29NO5/c1-16(5-6-19-7-10-21(27)11-8-19)24(17(2)25)14-13-20-9-12-22(29-18(3)26)23(15-20)28-4/h7-12,15-16,27H,5-6,13-14H2,1-4H3
InChIKey VVTYJCCDMVNSOM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 399.487 g/mol
Nominal Mass 399 u
Quality 981
Retention Index 3145
SMILES OC=1C=CC(CCC(N(CCC2=CC(=C(C=C2)OC(=O)C)OC)C(=O)C)C)=CC1
SPLASH splash10-0zfr-8950000000-141d5e21bb0d8b517b41
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-(2-(acetyl(4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)-2-methoxyphenyl acetate
Technique GC/MS
Wiley ID DD2024_022734