CID 135530418

3-[5-(1h-imidazol-1-yl)-7-methyl-1h-benzimidazol-2-yl]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1h)-one

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NCC4=CC=CC=N4)N5C=CN=C5

InChI

InChI=1S/C22H19N7O/c1-14-10-16(29-9-8-23-13-29)11-18-20(14)28-21(27-18)19-17(5-7-25-22(19)30)26-12-15-4-2-3-6-24-15/h2-11,13H,12H2,1H3,(H,27,28)(H2,25,26,30)

InChIKey

GLTRPHMPCVLOJS-UHFFFAOYSA-N

Compound name

3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one

Related CIDs

2D Structure

1
Annotation Hits: 2
References: 7
Patents: 397.1651 Da
Monoisotopic Mass: 1.7
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]+	398.17238	192.5
[M+Na]+	420.15432	202.8
[M-H]-	396.15782	198.3
[M+NH4]+	415.19892	198.1
[M+K]+	436.12826	192.6
[M+H-H2O]+	380.16236	180.4
[M+HCOO]-	442.16330	209.4
[M+CH3COO]-	456.17895	200.8
[M+Na-2H]-	418.13977	195.0
[M]+	397.16455	192.5
[M]-	397.16565	192.5

Literature stripe

Patent stripe