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2,3,6,6a-Tetrahydro-5H,15H-imidazo[2',1':2,3]pyrimidio[6,1-c]pyrrolo[1,2-a]benzodiazepine
SpectraBase Compound ID BN8sj6CDPf5
InChI InChI=1S/C17H18N4/c1-2-5-14-13(4-1)12-21-16(15-6-3-9-20(14)15)7-10-19-11-8-18-17(19)21/h1-6,9,16H,7-8,10-12H2
InChIKey QKWQHWWONDLJTN-UHFFFAOYSA-N
Mol Weight 278.36 g/mol
Molecular Formula C17H18N4
Exact Mass 278.153147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzlCA2lkFN3
Name 2,3,6,6a-Tetrahydro-5H,15H-imidazo[2',1':2,3]pyrimidio[6,1-c]pyrrolo[1,2-a]benzodiazepine
Comments Less than 3 mono-isotopic peaks
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Formula C17H18N4
InChI InChI=1S/C17H18N4/c1-2-5-14-13(4-1)12-21-16(15-6-3-9-20(14)15)7-10-19-11-8-18-17(19)21/h1-6,9,16H,7-8,10-12H2
InChIKey QKWQHWWONDLJTN-UHFFFAOYSA-N
Molecular Weight 278.359 g/mol
SMILES C=12N3Cc4c(-[n]5c(C3CCN2CCN1)ccc5)cccc4
SPLASH splash10-00di-0940000000-2ccdf7b846f115dcb061
Source of Spectrum SO-0-78-7
Wiley ID 1544667