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]+ 332.139356 185.3
[M+Na]+ 354.121298 193.5
[M-H]- 330.124804 188.9
[M+NH4]+ 349.165903 194.1
[M+K]+ 370.095238 185.2
[M+H-H2O]+ 314.129340 169.5
[M+HCOO]- 376.130281 200.0
[M+CH3COO]- 390.145931 192.5
[M+Na-2H]- 352.106746 186.0
[M]+ 331.13153142 176.2
[M]- 331.13262858 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.