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 148.1
[M+Na]+ 248.07943 159.1
[M-H]- 224.08293 151.4
[M+NH4]+ 243.12403 164.5
[M+K]+ 264.05337 153.6
[M+H-H2O]+ 208.08747 139.3
[M+HCOO]- 270.08841 169.6
[M+CH3COO]- 284.10406 160.9
[M+Na-2H]- 246.06488 156.1
[M]+ 225.08966 149.7
[M]- 225.09076 149.7
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