N-{(1S,11aS)-5,11-Dioxo-7-[3-(trifluoromethyl)phenyl]-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)-6,11-Dioxo-2-[3-(trifluoromethyl)phenyl]-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-methylsulfanylacetamide

ID: Reference12310

Other Names: NAT3-328140

Formula: C22H20F3N3O3S

Spectral Data

N-{(1S,11aS)-5,11-Dioxo-7-[3-(trifluoromethyl)phenyl]-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 1900
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/27/2023 12:25:25 PM
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Identificators

InChI InChI=1S/C22H20F3N3O3S/c1-32-11-18(29)26-17-7-8-28-19(17)20(30)27-16-6-5-13(10-15(16)21(28)31)12-3-2-4-14(9-12)22(23,24)25/h2-6,9-10,17,19H,7-8,11H2,1H3,(H,26,29)(H,27,30)/t17-,19-/m0/s1
InChI Key VTVLDSFMEHFFIM-HKUYNNGSSA-N
Canonical SMILES CSCC(=O)NC1CCN2C1C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC(=CC=C4)C(F)(F)F
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Other Names NAT3-328140

In Other Databases

PubChem 11941479
ChemSpider 10115798