(1S,11aS)-1-Amino-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione

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Systematic / IUPAC Name: (6aS,7S)-7-Amino-2-[3-(trifluoromethyl)phenyl]-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

ID: Reference8943

Other Names: 1H-Pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione, 1-amino-2,3-dihydro-7-[3-(trifluoromethyl)phenyl]-, (1S,11aS)-;
NAT3-328131

Formula: C19H16F3N3O2

Spectral Data

(1S,11aS)-1-Amino-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 1511
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/20/2019 6:55:00 AM
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Identificators

InChI InChI=1S/C19H16F3N3O2/c20-19(21,22)12-3-1-2-10(8-12)11-4-5-15-13(9-11)18(27)25-7-6-14(23)16(25)17(26)24-15/h1-5,8-9,14,16H,6-7,23H2,(H,24,26)/t14-,16-/m0/s1
InChI Key CRNAKYOWLBNZDV-HOCLYGCPSA-N
Canonical SMILES C1CN2C(C1N)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC(=CC=C4)C(F)(F)F
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Other Names 1H-Pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione, 1-amino-2,3-dihydro-7-[3-(trifluoromethyl)phenyl]-, (1S,11aS)-;
NAT3-328131

In Other Databases

PubChem 11941477
ChemSpider 10115796