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2-[2-(Diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
SpectraBase Compound ID HkmHgI0B2gW
InChI InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3
InChIKey IQADUMSPOQKAAO-UHFFFAOYSA-N
Mol Weight 335.5 g/mol
Molecular Formula C20H33NO3
Exact Mass 335.246044 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Cv26RUHdLCR
Name Oxeladin
CAS Registry Number 468-61-1
Collision Energy 5 eV
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Exact Mass 335.246043924 u
Formula C20H33NO3
InChI InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3
InChIKey IQADUMSPOQKAAO-UHFFFAOYSA-N
Instrument Name QStar XL, AB Sciex
Ion Polarity P
Ionization Type ESI+
Molecular Weight 335.488 g/mol
Nominal Mass 335 u
Precursor Ion [M+H]+
Precursor m/z 336.253
SMILES C(OCCOCCN(CC)CC)(=O)C(CC)(CC)C1=CC=CC=C1
Selected Ion Charge 1
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Spectrum Type ms2
Synonyms 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
Technique Q-TOF
Wiley ID MSforID_+_684.9