Systematic / IUPAC Name: Methyl N-{[1-(cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinate
ID: Reference5729
Other Names: N-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valine, methyl ester
Formula: C22H31N3O3
Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs
MDMB-CHMINACA mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion with FAIMS ; Q Exactive Plus Orbitrap |
No. of Spectral Trees | 3 |
No. of Spectra | 2893 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
Ionization Methods | ESI; NSI |
Analyzers | FT |
Last Modification | 12/18/2018 10:35:05 AM |
InChI | InChI=1S/C22H31N3O3/c1-22(2,3)19(21(27)28-4)23-20(26)18-16-12-8-9-13-17(16)25(24-18)14-15-10-6-5-7-11-15/h8-9,12-13,15,19H,5-7,10-11,14H2,1-4H3,(H,23,26)/t19-/m1/s1 |
InChI Key | DGQMLBSSRFFINY-LJQANCHMSA-N |
Canonical SMILES | CC(C)(C)C(C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCCC3 |
CAS | 1185888327 |
Splash | |
Other Names | N-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valine, methyl ester |
ChemSpider | 32055574 |
Wikipedia | MDMB-CHMINACA |
PubChem | 121491808 |