CID 345698

2-(3,4-dimethoxyphenyl)-1h-benzimidazole

Structural Information

Molecular Formula
C15H14N2O2
SMILES
COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)OC
InChI
InChI=1S/C15H14N2O2/c1-18-13-8-7-10(9-14(13)19-2)15-16-11-5-3-4-6-12(11)17-15/h3-9H,1-2H3,(H,16,17)
InChIKey
IGZWNUGQABGXEZ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

254.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 156.1
[M+Na]+ 277.09475 166.8
[M-H]- 253.09825 160.8
[M+NH4]+ 272.13935 172.9
[M+K]+ 293.06869 161.8
[M+H-H2O]+ 237.10279 147.8
[M+HCOO]- 299.10373 178.4
[M+CH3COO]- 313.11938 168.9
[M+Na-2H]- 275.08020 162.3
[M]+ 254.10498 159.7
[M]- 254.10608 159.7
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