4-Cyano-N-[(1R,9S)-11-(3,3-dimethylbutanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide
12318
Reference
4-Cyano-N-[(1R,9S)-11-(3,3-dimethylbutanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide Structure
Systematic / IUPAC Name: 4-Cyano-N-[(1R,9S)-11-(3,3-dimethylbutanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide
ID: Reference12318
Other Names: NAT11-274824
Formula: C25H28N4O3
Spectral Data
4-Cyano-N-[(1R,9S)-11-(3,3-dimethylbutanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide 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 Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1435 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/2/2023 7:13:53 PM |
Identificators
| InChI | InChI=1S/C25H28N4O3/c1-25(2,3)11-22(30)28-13-17-10-19(15-28)21-9-8-20(24(32)29(21)14-17)27-23(31)18-6-4-16(12-26)5-7-18/h4-9,17,19H,10-11,13-15H2,1-3H3,(H,27,31)/t17-,19+/m0/s1 |
| InChI Key | VRLGVYYGTFJFEQ-PKOBYXMFSA-N |
| Canonical SMILES | CC(C)(C)CC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=C(C=C4)C#N |
| CAS | |
| Splash | |
| Other Names | NAT11-274824 |