AB-CHMINACA metabolite M3A

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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

Spectral Data

AB-CHMINACA metabolite M3A mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

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
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Identificators

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)-

In Other Databases

ChemSpider 32741699