CID 3058001

2-(6-methoxy-2-pyridinyl)-1h-benzimidazole

Structural Information

Molecular Formula
C13H11N3O
SMILES
COC1=CC=CC(=N1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H11N3O/c1-17-12-8-4-7-11(14-12)13-15-9-5-2-3-6-10(9)16-13/h2-8H,1H3,(H,15,16)
InChIKey
XWLMPRJXECQYAT-UHFFFAOYSA-N
Compound name
2-(6-methoxypyridin-2-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

225.09021 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 148.6
[M+Na]+ 248.07943 164.8
[M+NH4]+ 243.12403 157.1
[M+K]+ 264.05337 158.8
[M-H]- 224.08293 151.8
[M+Na-2H]- 246.06488 158.1
[M]+ 225.08966 151.9
[M]- 225.09076 151.9
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