Systematic / IUPAC Name: N-({1-[(4-Hydroxycyclohexyl)methyl]-1H-indazol-3-yl}carbonyl)-L-valine
ID: Reference5933
Other Names:
{1-[(4-Hydroxycyclohexyl)methyl]-1H-indazole-3-carbonyl}-L-valine ;
L-Valine, N-({1-[(4-hydroxycyclohexyl)methyl]-1H-indazol-3-yl}carbonyl)-
Formula: C20H27N3O4
Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs
AB-CHMINACA metabolite M3A 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 | 4 |
No. of Spectra | 4702 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | ESI; NSI |
Analyzers | FT |
Last Modification | 1/8/2019 8:31:34 AM |
InChI | InChI=1S/C20H27N3O4/c1-12(2)17(20(26)27)21-19(25)18-15-5-3-4-6-16(15)23(22-18)11-13-7-9-14(24)10-8-13/h3-6,12-14,17,24H,7-11H2,1-2H3,(H,21,25)(H,26,27)/t13?,14?,17-/m0/s1 |
InChI Key | DGLBMACIGDZWJF-KVULBXGLSA-N |
Canonical SMILES | O=C(N[C@@H](C(C)C)C(O)=O)C1=NN(CC2CCC(O)CC2)C3=C1C=CC=C3 |
CAS | |
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Other Names |
{1-[(4-Hydroxycyclohexyl)methyl]-1H-indazole-3-carbonyl}-L-valine ; L-Valine, N-({1-[(4-hydroxycyclohexyl)methyl]-1H-indazol-3-yl}carbonyl)- |
ChemSpider | 32741699 |