CID 3490694

2,6-diphenylisonicotinic acid

Structural Information

Molecular Formula
C18H13NO2
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=N2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C18H13NO2/c20-18(21)15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-12H,(H,20,21)
InChIKey
PWKUURSWFJBXGO-UHFFFAOYSA-N
Compound name
2,6-diphenylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

56
Patents

275.09464 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.101916 162.7
[M+Na]+ 298.083858 170.1
[M-H]- 274.087364 169.9
[M+NH4]+ 293.128463 176.0
[M+K]+ 314.057798 164.6
[M+H-H2O]+ 258.091900 153.3
[M+HCOO]- 320.092841 183.7
[M+CH3COO]- 334.108491 174.0
[M+Na-2H]- 296.069306 168.1
[M]+ 275.09409142 161.3
[M]- 275.09518858 161.3
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

patents stripe