CID 44418300

2-phenyl-5-(4-pyridinylmethyl)-5h-imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C18H14N4
SMILES
C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=NC=C4
InChI
InChI=1S/C18H14N4/c1-2-4-15(5-3-1)18-20-16-8-11-22(13-17(16)21-18)12-14-6-9-19-10-7-14/h1-11,13H,12H2
InChIKey
VPVGKTVHFMLEIE-UHFFFAOYSA-N
Compound name
2-phenyl-5-(pyridin-4-ylmethyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

286.12186 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12914 167.2
[M+Na]+ 309.11108 176.6
[M-H]- 285.11458 172.6
[M+NH4]+ 304.15568 179.5
[M+K]+ 325.08502 169.3
[M+H-H2O]+ 269.11912 155.3
[M+HCOO]- 331.12006 186.4
[M+CH3COO]- 345.13571 178.0
[M+Na-2H]- 307.09653 173.8
[M]+ 286.12131 167.1
[M]- 286.12241 167.1
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