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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.107706 159.6
[M+Na]+ 293.089648 170.6
[M-H]- 269.093154 163.4
[M+NH4]+ 288.134253 175.2
[M+K]+ 309.063588 165.4
[M+H-H2O]+ 253.097690 151.7
[M+HCOO]- 315.098631 180.5
[M+CH3COO]- 329.114281 171.9
[M+Na-2H]- 291.075096 164.7
[M]+ 270.09988142 163.2
[M]- 270.10097858 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe