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 |