CID 492163

2-chloro-3-cyano-6-(4-phenylphenyl)-1,2-dihydropyridine-4-carboxylic acid

Structural Information

Molecular Formula
C19H13ClN2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(N3)Cl)C#N)C(=O)O
InChI
InChI=1S/C19H13ClN2O2/c20-18-16(11-21)15(19(23)24)10-17(22-18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-10,18,22H,(H,23,24)
InChIKey
VKGKKKOFFPTRET-UHFFFAOYSA-N
Compound name
2-chloro-3-cyano-6-(4-phenylphenyl)-1,2-dihydropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.06656 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07384 182.2
[M+Na]+ 359.05578 192.8
[M-H]- 335.05928 186.0
[M+NH4]+ 354.10038 192.1
[M+K]+ 375.02972 182.8
[M+H-H2O]+ 319.06382 167.5
[M+HCOO]- 381.06476 192.4
[M+CH3COO]- 395.08041 190.2
[M+Na-2H]- 357.04123 182.7
[M]+ 336.06601 175.7
[M]- 336.06711 175.7
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.