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-methoxy-2-pyridinyl)-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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.