CID 453273

133626-67-2

Structural Information

Molecular Formula

C₁₅H₁₅N₃O

SMILES

CCN1C2=CC=CC(=C2NC(=O)C3=C1N=CC=C3)C

InChI

InChI=1S/C15H15N3O/c1-3-18-12-8-4-6-10(2)13(12)17-15(19)11-7-5-9-16-14(11)18/h4-9H,3H2,1-2H3,(H,17,19)

InChIKey

GSLBQKHXBYDHEM-UHFFFAOYSA-N

Compound name

11-ethyl-7-methyl-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 253.1215 Da
Monoisotopic Mass: 2.5
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]+	254.128776	158.1
[M+Na]+	276.110718	167.6
[M-H]-	252.114224	160.1
[M+NH4]+	271.155323	172.4
[M+K]+	292.084658	165.8
[M+H-H2O]+	236.118760	149.9
[M+HCOO]-	298.119701	173.6
[M+CH3COO]-	312.135351	168.9
[M+Na-2H]-	274.096166	164.7
[M]+	253.12095142	155.4
[M]-	253.12204858	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe