N-[(1S,11aS)-7-(2,3-Dimethylphenyl)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-2-(methylsulfanyl)acetamide

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Systematic / IUPAC Name: N-[(6aS,7S)-2-(2,3-Dimethylphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-methylsulfanylacetamide

ID: Reference12316

Other Names: NAT3-328270

Formula: C23H25N3O3S

Spectral Data

N-[(1S,11aS)-7-(2,3-Dimethylphenyl)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-2-(methylsulfanyl)acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1991
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/27/2023 12:52:29 PM
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Identificators

InChI InChI=1S/C23H25N3O3S/c1-13-5-4-6-16(14(13)2)15-7-8-18-17(11-15)23(29)26-10-9-19(21(26)22(28)25-18)24-20(27)12-30-3/h4-8,11,19,21H,9-10,12H2,1-3H3,(H,24,27)(H,25,28)/t19-,21-/m0/s1
InChI Key HRRSWKVMNYOBOF-FPOVZHCZSA-N
Canonical SMILES CC1=C(C(=CC=C1)C2=CC3=C(C=C2)NC(=O)C4C(CCN4C3=O)NC(=O)CSC)C
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Other Names NAT3-328270

In Other Databases

ChemSpider 10115875
PubChem 11941556