CID 49749

5-methoxy-2-(6-methyl-2-pyridyl)benzimidazole

Structural Information

Molecular Formula
C14H13N3O
SMILES
CC1=NC(=CC=C1)C2=NC3=C(N2)C=C(C=C3)OC
InChI
InChI=1S/C14H13N3O/c1-9-4-3-5-12(15-9)14-16-11-7-6-10(18-2)8-13(11)17-14/h3-8H,1-2H3,(H,16,17)
InChIKey
CIMJKXSIPKLHSY-UHFFFAOYSA-N
Compound name
6-methoxy-2-(6-methylpyridin-2-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

239.10587 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 153.4
[M+Na]+ 262.09509 169.7
[M+NH4]+ 257.13969 161.6
[M+K]+ 278.06903 163.7
[M-H]- 238.09859 156.6
[M+Na-2H]- 260.08054 162.3
[M]+ 239.10532 156.7
[M]- 239.10642 156.7
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