(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

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

Spectral Data

(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.

View Mass Spectra

Available MS Data

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
View Mass Spec Data > >

Identificators

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
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Other Names NAT11-288473

In Other Databases

PubChem 7144233
ChemSpider 5484972