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Carvedilol
SpectraBase Compound ID CnEVImq9eVB
InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
InChIKey OGHNVEJMJSYVRP-UHFFFAOYSA-N
Mol Weight 406.48 g/mol
Molecular Formula C24H26N2O4
Exact Mass 406.189257 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Dui4xexPzsB
Name Carvedilol
CAS Registry Number 72956-09-3
Collision Energy 50 eV
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Exact Mass 406.189257321 u
Formula C24H26N2O4
InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
InChIKey OGHNVEJMJSYVRP-UHFFFAOYSA-N
Instrument Name QStar XL, AB Sciex
Ion Polarity P
Ionization Type ESI+
Molecular Weight 406.482 g/mol
Nominal Mass 406 u
Precursor Ion [M+H]+
Precursor m/z 407.197
SMILES N1C=2C(C=3C(OCC(CNCCOC=4C(OC)=CC=CC4)O)=CC=CC13)=CC=CC2
Selected Ion Charge 1
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Spectrum Type ms2
Synonyms 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
Technique Q-TOF
Wiley ID MSforID_+_174.10