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

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

ID: Reference8791

Other Names: Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 8-(2,4-dimethoxyphenyl)-2-(3-fluorobenzoyl)-1,3,4,12a-tetrahydro-;
NAT9-273012

Formula: C27H24FN3O5

Spectral Data

8-(2,4-Dimethoxyphenyl)-2-(3-fluorobenzoyl)-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 1876
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8, MS9
Ionization Methods NSI
Analyzers FT
Last Modification 7/24/2019 7:10:19 AM
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Identificators

InChI InChI=1S/C27H24FN3O5/c1-35-19-7-8-20(24(14-19)36-2)16-6-9-22-21(13-16)27(34)31-11-10-30(15-23(31)25(32)29-22)26(33)17-4-3-5-18(28)12-17/h3-9,12-14,23H,10-11,15H2,1-2H3,(H,29,32)
InChI Key VSICGLDEGZMACE-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=C(C=C1)C2=CC3=C(C=C2)NC(=O)C4CN(CCN4C3=O)C(=O)C5=CC(=CC=C5)F)OC
CAS
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Other Names Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 8-(2,4-dimethoxyphenyl)-2-(3-fluorobenzoyl)-1,3,4,12a-tetrahydro-;
NAT9-273012

In Other Databases

PubChem 3687312
ChemSpider 2919636