AB-CHMICA
5801
Reference
AB-CHMICA Structure
Systematic / IUPAC Name: (S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-1H-indole-3-carboxamide
ID: Reference5801
Other Names:
Formula: C21H29N3O2
Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs
Spectral Data
AB-CHMICA 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 | 3 |
| No. of Spectra | 1054 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | ESI; NSI |
| Analyzers | FT |
| Last Modification | 12/18/2018 1:06:56 PM |
Identificators
| InChI | 1S/C21H29N3O2/c1-14(2)19(20(22)25)23-21(26)17-13-24(12-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h6-7,10-11,13-15,19H,3-5,8-9,12H2,1-2H3,(H2,22,25)(H,23,26)/t19-/m0/s1 |
| InChI Key | BLLKAWANSRRHLA-IBGZPJMESA-N |
| Canonical SMILES | O=C(N[C@H](C(N)=O)C(C)C)C1=CN(CC2CCCCC2)C3=C1C=CC=C3 |
| CAS | |
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| Other Names |