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

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

ID: Reference9970

Other Names: Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 1,3,4,12a-tetrahydro-2-(3-pyridinylcarbonyl)-8-(2-thienyl)-;
NAT9-273064

Formula: C22H18N4O3S

Spectral Data

2-(3-Pyridinylcarbonyl)-8-(2-thienyl)-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
No. of Spectral Trees 2
No. of Spectra 2026
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/1/2020 11:22:05 AM
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Identificators

InChI InChI=1S/C22H18N4O3S/c27-20-18-13-25(21(28)15-3-1-7-23-12-15)8-9-26(18)22(29)16-11-14(5-6-17(16)24-20)19-4-2-10-30-19/h1-7,10-12,18H,8-9,13H2,(H,24,27)
InChI Key LDVSUBKWSCSCPG-UHFFFAOYSA-N
Canonical SMILES C1CN2C(CN1C(=O)C3=CN=CC=C3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=CS5
CAS
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Other Names Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 1,3,4,12a-tetrahydro-2-(3-pyridinylcarbonyl)-8-(2-thienyl)-;
NAT9-273064

In Other Databases

PubChem 3778792
ChemSpider 3007077