AB-FUBICA
6891
Reference
AB-FUBICA Structure
Systematic / IUPAC Name: N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indole-3-carboxamide
ID: Reference6891
Other Names: 1H-Indole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-[(4-fluorophenyl)methyl]-
Formula: C21H22FN3O2
Spectral Data
AB-FUBICA 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 | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/4/2017 7:06:31 AM |
Identificators
| InChI | InChI=1S/C21H22FN3O2/c1-13(2)19(20(23)26)24-21(27)17-12-25(18-6-4-3-5-16(17)18)11-14-7-9-15(22)10-8-14/h3-10,12-13,19H,11H2,1-2H3,(H2,23,26)(H,24,27)/t19-/m0/s1 |
| InChI Key | KTVPQJSKKGZIEA-IBGZPJMESA-N |
| Canonical SMILES | CC(C)C(C(=O)N)NC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)F |
| CAS | 1801338226 |
| Splash | |
| Other Names | 1H-Indole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-[(4-fluorophenyl)methyl]- |