CID 492165

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

Structural Information

Molecular Formula
C26H21N3O3
SMILES
COC1=CC=C(C=C1)NC2C(=C(C=C(N2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O)C#N
InChI
InChI=1S/C26H21N3O3/c1-32-21-13-11-20(12-14-21)28-25-23(16-27)22(26(30)31)15-24(29-25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15,25,28-29H,1H3,(H,30,31)
InChIKey
WBWAYSUFILVLIU-UHFFFAOYSA-N
Compound name
3-cyano-2-(4-methoxyanilino)-6-(4-phenylphenyl)-1,2-dihydropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.1583 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.16558 210.3
[M+Na]+ 446.14752 217.8
[M-H]- 422.15102 215.6
[M+NH4]+ 441.19212 214.9
[M+K]+ 462.12146 208.1
[M+H-H2O]+ 406.15556 192.5
[M+HCOO]- 468.15650 223.9
[M+CH3COO]- 482.17215 215.5
[M+Na-2H]- 444.13297 209.4
[M]+ 423.15775 201.9
[M]- 423.15885 201.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.