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

enlarge

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

ID: Reference12276

Other Names: NAT7-256819

Formula: C23H25N3O4S

Spectral Data

N-[(6aS,8S)-2-(4-Methoxyphenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylsulfanyl)acetamide 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 2615
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/16/2023 4:07:03 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H25N3O4S/c1-30-17-6-3-14(4-7-17)15-5-8-19-18(11-15)23(29)26-10-9-16(24-21(27)13-31-2)12-20(26)22(28)25-19/h3-8,11,16,20H,9-10,12-13H2,1-2H3,(H,24,27)(H,25,28)/t16-,20-/m0/s1
InChI Key QDWXUGNGMPGLOJ-JXFKEZNVSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C4CC(CCN4C3=O)NC(=O)CSC
CAS
Splash
Other Names NAT7-256819

In Other Databases

PubChem 11866400
ChemSpider 10040733