N-[(6aS,8S)-2-(2,3-Dimethylphenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]methanesulfonamide

enlarge

Systematic / IUPAC Name: N-[(6aS,8S)-2-(2,3-Dimethylphenyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]methanesulfonamide

ID: Reference12983

Other Names: NAT7-329990

Formula: C22H25N3O4S

Spectral Data

N-[(6aS,8S)-2-(2,3-Dimethylphenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]methanesulfonamide 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 1850
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/26/2024 10:31:29 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H25N3O4S/c1-13-5-4-6-17(14(13)2)15-7-8-19-18(11-15)22(27)25-10-9-16(24-30(3,28)29)12-20(25)21(26)23-19/h4-8,11,16,20,24H,9-10,12H2,1-3H3,(H,23,26)/t16-,20-/m0/s1
InChI Key ANAZBDSTICTFBZ-JXFKEZNVSA-N
Canonical SMILES CC1=C(C(=CC=C1)C2=CC3=C(C=C2)NC(=O)C4CC(CCN4C3=O)NS(=O)(=O)C)C
CAS
Splash
Other Names NAT7-329990

In Other Databases

PubChem 25390943
ChemSpider 21388677