(1R,9R)-N-(4-Methoxyphenyl)-6-oxo-5-[(phenylacetyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
12951
Reference
(1R,9R)-N-(4-Methoxyphenyl)-6-oxo-5-[(phenylacetyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Structure
Systematic / IUPAC Name: (1R,9R)-N-(4-Methoxyphenyl)-6-oxo-5-[(2-phenylacetyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
ID: Reference12951
Other Names: NAT11-308758
Formula: C27H28N4O4
Spectral Data
(1R,9R)-N-(4-Methoxyphenyl)-6-oxo-5-[(phenylacetyl)amino]-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 | 1415 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/21/2023 11:51:43 AM |
Identificators
| InChI | InChI=1S/C27H28N4O4/c1-35-22-9-7-21(8-10-22)28-27(34)30-15-19-13-20(17-30)24-12-11-23(26(33)31(24)16-19)29-25(32)14-18-5-3-2-4-6-18/h2-12,19-20H,13-17H2,1H3,(H,28,34)(H,29,32)/t19-,20+/m0/s1 |
| InChI Key | ZSUAKADIXMMXHN-VQTJNVASSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)NC(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)NC(=O)CC5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT11-308758 |