(1R,9R)-5-{[(3-Cyanophenyl)carbamoyl]amino}-N-cyclohexyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
12238
Reference
(1R,9R)-5-{[(3-Cyanophenyl)carbamoyl]amino}-N-cyclohexyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Structure
Systematic / IUPAC Name: (1R,9R)-5-[(3-Cyanophenyl)carbamoylamino]-N-cyclohexyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
ID: Reference12238
Other Names: NAT11-303204
Formula: C26H30N6O3
Spectral Data
(1R,9R)-5-{[(3-Cyanophenyl)carbamoyl]amino}-N-cyclohexyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide 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 | 2345 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/9/2023 9:11:58 PM |
Identificators
| InChI | InChI=1S/C26H30N6O3/c27-13-17-5-4-8-21(12-17)28-25(34)30-22-9-10-23-19-11-18(15-32(23)24(22)33)14-31(16-19)26(35)29-20-6-2-1-3-7-20/h4-5,8-10,12,18-20H,1-3,6-7,11,14-16H2,(H,29,35)(H2,28,30,34)/t18-,19+/m0/s1 |
| InChI Key | BHVUBTWDQCAGGY-RBUKOAKNSA-N |
| Canonical SMILES | C1CCC(CC1)NC(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)NC(=O)NC5=CC=CC(=C5)C#N |
| CAS | |
| Splash | |
| Other Names | NAT11-303204 |