CID 1511

2-(3'-methoxyphenyl) benzimidazole-4-carboxamide

Structural Information

Molecular Formula
C15H13N3O2
SMILES
COC1=CC=CC(=C1)C2=NC3=C(C=CC=C3N2)C(=O)N
InChI
InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKey
NVVWVYYHTKCIAE-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

119
Patents

267.10077 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.108046 159.2
[M+Na]+ 290.089988 168.9
[M-H]- 266.093494 163.6
[M+NH4]+ 285.134593 174.7
[M+K]+ 306.063928 163.6
[M+H-H2O]+ 250.098030 150.8
[M+HCOO]- 312.098971 181.1
[M+CH3COO]- 326.114621 171.2
[M+Na-2H]- 288.075436 163.9
[M]+ 267.10022142 159.9
[M]- 267.10131858 159.9
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