CID 453298

133626-87-6

Structural Information

Molecular Formula

C₁₇H₁₅N₃O₂

SMILES

CC(=O)N1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)CC=C

InChI

InChI=1S/C17H15N3O2/c1-3-11-19-14-8-4-5-9-15(14)20(12(2)21)16-13(17(19)22)7-6-10-18-16/h3-10H,1,11H2,2H3

InChIKey

LKAHXQMVRCEGNA-UHFFFAOYSA-N

Compound name

11-acetyl-6-prop-2-enylpyrido[3,2-c][1,5]benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 293.11642 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.123696	166.7
[M+Na]+	316.105638	175.9
[M-H]-	292.109144	169.9
[M+NH4]+	311.150243	179.9
[M+K]+	332.079578	174.6
[M+H-H2O]+	276.113680	158.0
[M+HCOO]-	338.114621	182.6
[M+CH3COO]-	352.130271	177.2
[M+Na-2H]-	314.091086	171.8
[M]+	293.11587142	165.7
[M]-	293.11696858	165.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.