Systematic / IUPAC Name: (1R,9R)-N-(2-Methoxyphenyl)-3-(4-methylsulfanylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
ID: Reference13132
Other Names: NAT11-288473
Formula: C26H27N3O3S
(1R,9R)-N-(2-Methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]-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.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 1678 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 5/9/2024 12:29:13 PM |
InChI | InChI=1S/C26H27N3O3S/c1-32-23-6-4-3-5-22(23)27-26(31)28-14-17-13-19(16-28)25-21(11-12-24(30)29(25)15-17)18-7-9-20(33-2)10-8-18/h3-12,17,19H,13-16H2,1-2H3,(H,27,31)/t17-,19+/m0/s1 |
InChI Key | KPFIKMZLLPSRCY-PKOBYXMFSA-N |
Canonical SMILES | COC1=CC=CC=C1NC(=O)N2CC3CC(C2)C4=C(C=CC(=O)N4C3)C5=CC=C(C=C5)SC |
CAS | |
Splash | |
Other Names | NAT11-288473 |