CID 453351

24000-52-0

Structural Information

Molecular Formula

C₁₅H₁₅N₃O

SMILES

CCN1C2=CC=CC=C2C(=O)N(C3=C1N=CC=C3)C

InChI

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

InChIKey

LLQUUSCJXBDESL-UHFFFAOYSA-N

Compound name

11-ethyl-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 253.1215 Da
Monoisotopic Mass: 2.3
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]+	254.12878	157.4
[M+Na]+	276.11072	167.2
[M-H]-	252.11422	160.6
[M+NH4]+	271.15532	172.3
[M+K]+	292.08466	166.0
[M+H-H2O]+	236.11876	148.8
[M+HCOO]-	298.11970	174.2
[M+CH3COO]-	312.13535	168.7
[M+Na-2H]-	274.09617	164.3
[M]+	253.12095	156.3
[M]-	253.12205	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe