N-[(1R,9S)-11-Benzoyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-cyanobenzamide
13105
Reference
N-[(1R,9S)-11-Benzoyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-cyanobenzamide Structure
Systematic / IUPAC Name: N-[(1R,9S)-11-Benzoyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-cyanobenzamide
ID: Reference13105
Other Names: NAT11-274713
Formula: C26H22N4O3
Spectral Data
N-[(1R,9S)-11-Benzoyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-cyanobenzamide 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 | 1005 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/15/2024 8:22:29 AM |
Identificators
| InChI | InChI=1S/C26H22N4O3/c27-13-17-6-8-19(9-7-17)24(31)28-22-10-11-23-21-12-18(15-30(23)26(22)33)14-29(16-21)25(32)20-4-2-1-3-5-20/h1-11,18,21H,12,14-16H2,(H,28,31)/t18-,21+/m0/s1 |
| InChI Key | NXWZMMUEYYJARY-GHTZIAJQSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT11-274713 |