CID 3061464

Brn 4718126

Structural Information

Molecular Formula

C₁₈H₁₅N₅O₂

SMILES

CC1=NC=CN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C18H15N5O2/c1-12-19-9-10-22(12)11-16(24)23-15-7-3-2-5-13(15)18(25)21-14-6-4-8-20-17(14)23/h2-10H,11H2,1H3,(H,21,25)

InChIKey

BGUSDQMLLINOMU-UHFFFAOYSA-N

Compound name

11-[2-(2-methylimidazol-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 333.1226 Da
Monoisotopic Mass: 0.5
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]+	334.129876	180.7
[M+Na]+	356.111818	190.2
[M-H]-	332.115324	183.7
[M+NH4]+	351.156423	190.3
[M+K]+	372.085758	187.0
[M+H-H2O]+	316.119860	169.1
[M+HCOO]-	378.120801	194.0
[M+CH3COO]-	392.136451	189.5
[M+Na-2H]-	354.097266	183.6
[M]+	333.12205142	178.3
[M]-	333.12314858	178.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.