(1R,9R)-5-(Benzoylamino)-N-(3,5-dimethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
13155
Reference
(1R,9R)-5-(Benzoylamino)-N-(3,5-dimethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Structure
Systematic / IUPAC Name: (1R,9R)-5-Benzamido-N-(3,5-dimethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
ID: Reference13155
Other Names: NAT11-279915
Formula: C27H28N4O5
Spectral Data
(1R,9R)-5-(Benzoylamino)-N-(3,5-dimethoxyphenyl)-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 | 2 |
| No. of Spectra | 3489 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/24/2024 3:50:01 PM |
Identificators
| InChI | InChI=1S/C27H28N4O5/c1-35-21-11-20(12-22(13-21)36-2)28-27(34)30-14-17-10-19(16-30)24-9-8-23(26(33)31(24)15-17)29-25(32)18-6-4-3-5-7-18/h3-9,11-13,17,19H,10,14-16H2,1-2H3,(H,28,34)(H,29,32)/t17-,19+/m0/s1 |
| InChI Key | QITMSFMEYOZZEO-PKOBYXMFSA-N |
| Canonical SMILES | COC1=CC(=CC(=C1)NC(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)NC(=O)C5=CC=CC=C5)OC |
| CAS | |
| Splash | |
| Other Names | NAT11-279915 |