CID 738986

2,6-bis(benzimidazol-2-yl)pyridine

Structural Information

Molecular Formula
C19H13N5
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-11H,(H,21,22)(H,23,24)
InChIKey
JBKICBDXAZNSKA-UHFFFAOYSA-N
Compound name
2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

45
References

221
Patents

311.1171 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12438 170.3
[M+Na]+ 334.10632 182.5
[M-H]- 310.10982 174.8
[M+NH4]+ 329.15092 182.1
[M+K]+ 350.08026 172.8
[M+H-H2O]+ 294.11436 159.7
[M+HCOO]- 356.11530 188.3
[M+CH3COO]- 370.13095 180.9
[M+Na-2H]- 332.09177 176.2
[M]+ 311.11655 170.8
[M]- 311.11765 170.8
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.