CID 135665562

Benzimidazole derivative 4

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₃

SMILES

COC1=CC(=CC(=C1O)OC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C15H14N2O3/c1-19-12-7-9(8-13(20-2)14(12)18)15-16-10-5-3-4-6-11(10)17-15/h3-8,18H,1-2H3,(H,16,17)

InChIKey

LEEVVCNLICRBQX-UHFFFAOYSA-N

Compound name

4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 270.10043 Da
Monoisotopic Mass: 2.8
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]+	271.10771	160.8
[M+Na]+	293.08965	175.9
[M+NH4]+	288.13425	168.2
[M+K]+	309.06359	171.0
[M-H]-	269.09315	163.4
[M+Na-2H]-	291.07510	168.1
[M]+	270.09988	163.7
[M]-	270.10098	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe