CID 492164

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

Structural Information

Molecular Formula
C20H17N3O2
SMILES
CNC1C(=C(C=C(N1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)C#N
InChI
InChI=1S/C20H17N3O2/c1-22-19-17(12-21)16(20(24)25)11-18(23-19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11,19,22-23H,1H3,(H,24,25)
InChIKey
VPZKXZWSISMOMP-UHFFFAOYSA-N
Compound name
3-cyano-2-(methylamino)-6-(4-phenylphenyl)-1,2-dihydropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 185.3
[M+Na]+ 354.12130 193.5
[M-H]- 330.12480 188.9
[M+NH4]+ 349.16590 194.1
[M+K]+ 370.09524 185.2
[M+H-H2O]+ 314.12934 169.5
[M+HCOO]- 376.13028 200.0
[M+CH3COO]- 390.14593 192.5
[M+Na-2H]- 352.10675 186.0
[M]+ 331.13153 176.2
[M]- 331.13263 176.2
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.