CID 492160

4-(1h-benzimidazol-2-yl)-2-oxo-6-(4-phenylphenyl)-1h-pyridine-3-carbonitrile

Structural Information

Molecular Formula
C25H16N4O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=O)N3)C#N)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C25H16N4O/c26-15-20-19(24-27-21-8-4-5-9-22(21)28-24)14-23(29-25(20)30)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14H,(H,27,28)(H,29,30)
InChIKey
SRPGTDKSXIWLFT-UHFFFAOYSA-N
Compound name
4-(1H-benzimidazol-2-yl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.13242 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13970 201.7
[M+Na]+ 411.12164 213.7
[M-H]- 387.12514 205.8
[M+NH4]+ 406.16624 207.9
[M+K]+ 427.09558 199.9
[M+H-H2O]+ 371.12968 183.1
[M+HCOO]- 433.13062 215.3
[M+CH3COO]- 447.14627 208.1
[M+Na-2H]- 409.10709 202.9
[M]+ 388.13187 194.3
[M]- 388.13297 194.3
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

No patent data available for this compound.