CID 738986

28020-73-7

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)pyridin-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

45
References

222
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 171.3
[M+Na]+ 334.10632 189.7
[M+NH4]+ 329.15092 179.4
[M+K]+ 350.08026 184.4
[M-H]- 310.10982 176.1
[M+Na-2H]- 332.09177 182.1
[M]+ 311.11655 175.5
[M]- 311.11765 175.5
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