CID 247635

1137-67-3

Structural Information

Molecular Formula
C12H9N3
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CN=CC=C3
InChI
InChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15)
InChIKey
BOUOQESVDURNSB-UHFFFAOYSA-N
Compound name
2-pyridin-3-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

185
Patents

195.07965 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08693 140.5
[M+Na]+ 218.06887 156.9
[M+NH4]+ 213.11347 149.7
[M+K]+ 234.04281 150.5
[M-H]- 194.07237 144.1
[M+Na-2H]- 216.05432 151.0
[M]+ 195.07910 144.0
[M]- 195.08020 144.0
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