CID 44418311

Chembl218800

Structural Information

Molecular Formula
C20H14N4
SMILES
C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=CC=C4C#N
InChI
InChI=1S/C20H14N4/c21-12-16-8-4-5-9-17(16)13-24-11-10-18-19(14-24)23-20(22-18)15-6-2-1-3-7-15/h1-11,14H,13H2
InChIKey
SAFXXHGFHPLPDB-UHFFFAOYSA-N
Compound name
2-[(2-phenylimidazo[4,5-c]pyridin-5-yl)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

310.12186 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12914 175.9
[M+Na]+ 333.11108 187.2
[M-H]- 309.11458 179.5
[M+NH4]+ 328.15568 186.6
[M+K]+ 349.08502 176.7
[M+H-H2O]+ 293.11912 157.7
[M+HCOO]- 355.12006 191.7
[M+CH3COO]- 369.13571 184.5
[M+Na-2H]- 331.09653 179.5
[M]+ 310.12131 170.4
[M]- 310.12241 170.4
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.