(1R,9R)-3-[4-(Methylsulfanyl)phenyl]-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
12321
Reference
(1R,9R)-3-[4-(Methylsulfanyl)phenyl]-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Structure
Systematic / IUPAC Name: (1R,9R)-3-(4-Methylsulfanylphenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
ID: Reference12321
Other Names: NAT11-288466
Formula: C25H25N3O2S
Spectral Data
(1R,9R)-3-[4-(Methylsulfanyl)phenyl]-6-oxo-N-phenyl-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 | 1423 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/2/2023 7:21:07 PM |
Identificators
| InChI | InChI=1S/C25H25N3O2S/c1-31-21-9-7-18(8-10-21)22-11-12-23(29)28-15-17-13-19(24(22)28)16-27(14-17)25(30)26-20-5-3-2-4-6-20/h2-12,17,19H,13-16H2,1H3,(H,26,30)/t17-,19+/m0/s1 |
| InChI Key | FOUFSQCVRHJCIU-PKOBYXMFSA-N |
| Canonical SMILES | CSC1=CC=C(C=C1)C2=C3C4CC(CN(C4)C(=O)NC5=CC=CC=C5)CN3C(=O)C=C2 |
| CAS | |
| Splash | |
| Other Names | NAT11-288466 |