AB-CHMINACA 2'-indazole isomer
5960
Reference
AB-CHMINACA 2'-indazole isomer Structure
Systematic / IUPAC Name: (S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(cyclohexylmethyl)-2H-indazole-3-carboxamide
ID: Reference5960
Other Names:
Formula: C20H28N4O2
Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs
Spectral Data
AB-CHMINACA 2'-indazole isomer 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 | Orbitrap Fusion with FAIMS ; Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 4 |
| No. of Spectra | 5425 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | ESI; NSI |
| Analyzers | FT |
| Last Modification | 12/13/2018 9:08:10 AM |
Identificators
| InChI | 1S/C20H28N4O2/c1-13(2)17(19(21)25)22-20(26)18-15-10-6-7-11-16(15)23-24(18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H2,21,25)(H,22,26)/t17-/m0/s1 |
| InChI Key | TVVJYCKLTAMJFO-KRWDZBQOSA-N |
| Canonical SMILES | O=C(N[C@H](C(N)=O)C(C)C)C1=C2C(C=CC=C2)=NN1CC3CCCCC3 |
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