CID 492155

3-cyano-2-oxo-6-(4-phenylphenyl)-1h-pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C19H12N2O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=O)N3)C#N)C(=O)O
InChI
InChI=1S/C19H12N2O3/c20-11-16-15(19(23)24)10-17(21-18(16)22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-10H,(H,21,22)(H,23,24)
InChIKey
QYIMASMXOHCTQQ-UHFFFAOYSA-N
Compound name
3-cyano-2-oxo-6-(4-phenylphenyl)-1H-pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.08478 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09206 180.3
[M+Na]+ 339.07400 190.8
[M-H]- 315.07750 184.5
[M+NH4]+ 334.11860 189.9
[M+K]+ 355.04794 182.5
[M+H-H2O]+ 299.08204 164.7
[M+HCOO]- 361.08298 195.9
[M+CH3COO]- 375.09863 188.7
[M+Na-2H]- 337.05945 181.8
[M]+ 316.08423 173.4
[M]- 316.08533 173.4
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.