AB-CHMINACA metabolite M2
5929
Reference
AB-CHMINACA metabolite M2 Structure
Systematic / IUPAC Name: N-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-L-valine
ID: Reference5929
Other Names: L-Valine, N-{[1-(cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-
Formula: C20H27N3O3
Class: Drugs of Abuse/Illegal Drugs
Spectral Data
AB-CHMINACA metabolite M2 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 222 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/8/2016 2:23:23 PM |
Identificators
| 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)/t17-/m0/s1 |
| InChI Key | FWDOPMKLKXLVEL-KRWDZBQOSA-N |
| Canonical SMILES | CC(C)C(C(=O)O)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCCC3 |
| CAS | 1185887517 |
| Splash | |
| Other Names | L-Valine, N-{[1-(cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}- |