SpectraBase Spectrum ID |
8I3IHGcFsvo |
Name |
Pentoxyverine-M (Desalkyl,OH) 2AC II |
Classification |
Pharmaceutical drug metabolite derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
405.215137716 u |
Formula |
C22H31NO6 |
InChI |
InChI=1S/C22H31NO6/c1-4-23(17(2)24)13-14-27-15-16-28-21(26)22(19-9-6-5-7-10-19)12-8-11-20(22)29-18(3)25/h5-7,9-10,20H,4,8,11-16H2,1-3H3 |
InChIKey |
KXINLELETOGZNF-UHFFFAOYSA-N |
Ionization Type |
Chemical Ionization (CI) |
Molecular Weight |
405.491 g/mol |
Nominal Mass |
405 u |
Reagent Gas |
Methane |
Retention Index |
2850 |
SMILES |
C1(C(CCC1)OC(=O)C)(C=1C=CC=CC1)C(OCCOCCN(C(=O)C)CC)=O |
SPLASH |
splash10-0bt9-0801900000-ac87eef984dba53d45c7 |
Sample Comments |
Acetoxy position uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Carbetapentane-M (Desalkyl,OH) 2AC II
2-(2-(acetyl(ethyl)amino)ethoxy)ethyl 2-(acetyloxy)-1-phenylcyclopentane-1-carboxylate |
Technique |
GC/MS |
Wiley ID |
DD2024_013527 |