CID 1229665

Methyl 2-(4-methoxyphenyl)-1h-benzimidazole-5-carboxylate

Structural Information

Molecular Formula
C16H14N2O3
SMILES
COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OC
InChI
InChI=1S/C16H14N2O3/c1-20-12-6-3-10(4-7-12)15-17-13-8-5-11(16(19)21-2)9-14(13)18-15/h3-9H,1-2H3,(H,17,18)
InChIKey
HCRBRYFXPVRDGM-UHFFFAOYSA-N
Compound name
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.10043 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 163.2
[M+Na]+ 305.08965 173.3
[M-H]- 281.09315 168.0
[M+NH4]+ 300.13425 178.7
[M+K]+ 321.06359 168.7
[M+H-H2O]+ 265.09769 154.8
[M+HCOO]- 327.09863 184.5
[M+CH3COO]- 341.11428 175.4
[M+Na-2H]- 303.07510 167.8
[M]+ 282.09988 167.2
[M]- 282.10098 167.2
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

No patent data available for this compound.