CID 72710411

110763-56-9

Structural Information

Molecular Formula

C₁₂H₉N₃O

SMILES

C1=CC=C2C(=C1)NC(=O)N2C3=CC=NC=C3

InChI

InChI=1S/C12H9N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-8H,(H,14,16)

InChIKey

UVWOQPKLEXKDIE-UHFFFAOYSA-N

Compound name

3-pyridin-4-yl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 211.07455 Da
Monoisotopic Mass: 1.2
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]+	212.08183	143.2
[M+Na]+	234.06377	154.9
[M-H]-	210.06727	146.6
[M+NH4]+	229.10837	160.1
[M+K]+	250.03771	149.0
[M+H-H2O]+	194.07181	134.6
[M+HCOO]-	256.07275	165.2
[M+CH3COO]-	270.08840	156.5
[M+Na-2H]-	232.04922	151.6
[M]+	211.07400	143.8
[M]-	211.07510	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe