SpectraBase Spectrum ID |
BsIvgaQaMGP |
Name |
2-(1-(Cyclohexylmethyl)-1H-indazole-3-carboxamido)-3-methylbutanoic acid |
Classification |
Indazole cannabinoid designer drug |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
357.205241738 u |
Formula |
C20H27N3O3 |
InChI |
InChI=1S/C20H27N3O3/c1-13(2)17(20(25)26)21-19(24)18-15-10-6-7-11-16(15)23(22-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H,21,24)(H,25,26) |
InChIKey |
FWDOPMKLKXLVEL-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
357.454 g/mol |
Nominal Mass |
357 u |
Quality |
981 |
Retention Index |
2842 |
SMILES |
OC(C(NC(C=1C=2C(N(N1)CC1CCCCC1)=CC=CC2)=O)C(C)C)=O |
SPLASH |
splash10-0006-5792000000-1d720f226a3dbe7e5adc |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-(((1-(cyclohexylmethyl)-1H-indazol-3-yl)carbonyl)amino)-3-methylbutanoic acid |
Technique |
GC/MS |
Wiley ID |
DD2024_018946 |