CID 492169

3-cyano-2-[2-(2-ethoxy-2-oxo-ethyl)hydrazino]-6-(4-phenylphenyl)-1,2-dihydropyridine-4-carboxylic acid

Structural Information

Molecular Formula
C23H22N4O4
SMILES
CCOC(=O)CNNC1C(=C(C=C(N1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)C#N
InChI
InChI=1S/C23H22N4O4/c1-2-31-21(28)14-25-27-22-19(13-24)18(23(29)30)12-20(26-22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,22,25-27H,2,14H2,1H3,(H,29,30)
InChIKey
GROQUIIEGLHSBJ-UHFFFAOYSA-N
Compound name
3-cyano-2-[2-(2-ethoxy-2-oxoethyl)hydrazinyl]-6-(4-phenylphenyl)-1,2-dihydropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.1641 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17138 205.4
[M+Na]+ 441.15332 210.8
[M-H]- 417.15682 208.3
[M+NH4]+ 436.19792 210.2
[M+K]+ 457.12726 204.1
[M+H-H2O]+ 401.16136 188.5
[M+HCOO]- 463.16230 219.5
[M+CH3COO]- 477.17795 235.1
[M+Na-2H]- 439.13877 204.3
[M]+ 418.16355 197.7
[M]- 418.16465 197.7
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.