AB-BICA
7324
Reference
AB-BICA Structure
Systematic / IUPAC Name: N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-benzyl-1H-indole-3-carboxamide
ID: Reference7324
Other Names: 1H-Indole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(phenylmethyl)-
Formula: C21H23N3O2
Class: Drugs of Abuse/Illegal Drugs
Spectral Data
AB-BICA 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 | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 229 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 2/5/2018 8:55:14 AM |
Identificators
| InChI | InChI=1S/C21H23N3O2/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/h3-11,13-14,19H,12H2,1-2H3,(H2,22,25)(H,23,26)/t19-/m0/s1 |
| InChI Key | KWZMKPNXFPNTEJ-IBGZPJMESA-N |
| Canonical SMILES | CC(C)C(C(=O)N)NC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3 |
| CAS | 1969264376 |
| Splash | |
| Other Names | 1H-Indole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(phenylmethyl)- |