8-(2-Fluorophenyl)-2-(2-thienylcarbonyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione

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Systematic / IUPAC Name: 9-(2-Fluorophenyl)-3-(thiophene-2-carbonyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione

ID: Reference8793

Other Names: Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 8-(2-fluorophenyl)-1,3,4,12a-tetrahydro-2-(2-thienylcarbonyl)-;
NAT9-272986

Formula: C23H18FN3O3S

Spectral Data

8-(2-Fluorophenyl)-2-(2-thienylcarbonyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-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 1332
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 7/24/2019 8:47:34 AM
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Identificators

InChI InChI=1S/C23H18FN3O3S/c24-17-5-2-1-4-15(17)14-7-8-18-16(12-14)22(29)27-10-9-26(13-19(27)21(28)25-18)23(30)20-6-3-11-31-20/h1-8,11-12,19H,9-10,13H2,(H,25,28)
InChI Key HKRQHZDDYLKGKA-UHFFFAOYSA-N
Canonical SMILES C1CN2C(CN1C(=O)C3=CC=CS3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=CC=C5F
CAS
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Other Names Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 8-(2-fluorophenyl)-1,3,4,12a-tetrahydro-2-(2-thienylcarbonyl)-;
NAT9-272986

In Other Databases

ChemSpider 2973589
PubChem 3743757