CID 75202

2219-12-7

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

CN1C2=CC=CC=C2N=C1C3=CC=CC=C3O

InChI

InChI=1S/C14H12N2O/c1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17/h2-9,17H,1H3

InChIKey

DBUIKLZNAQEAEE-UHFFFAOYSA-N

Compound name

2-(1-methylbenzimidazol-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 60
Patents: 224.09496 Da
Monoisotopic Mass: 2.7
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]+	225.10224	148.7
[M+Na]+	247.08418	165.3
[M+NH4]+	242.12878	157.9
[M+K]+	263.05812	159.0
[M-H]-	223.08768	152.8
[M+Na-2H]-	245.06963	158.2
[M]+	224.09441	152.4
[M]-	224.09551	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe