CID 492167

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

Structural Information

Molecular Formula
C26H20N4O2
SMILES
C1=CC=C(C=C1)C=NNC2C(=C(C=C(N2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O)C#N
InChI
InChI=1S/C26H20N4O2/c27-16-23-22(26(31)32)15-24(29-25(23)30-28-17-18-7-3-1-4-8-18)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-15,17,25,29-30H,(H,31,32)
InChIKey
DCXVMFXMBAZHPH-UHFFFAOYSA-N
Compound name
2-(2-benzylidenehydrazinyl)-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

420.15863 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16591 210.8
[M+Na]+ 443.14785 217.6
[M-H]- 419.15135 216.8
[M+NH4]+ 438.19245 215.6
[M+K]+ 459.12179 207.3
[M+H-H2O]+ 403.15589 192.6
[M+HCOO]- 465.15683 226.5
[M+CH3COO]- 479.17248 215.9
[M+Na-2H]- 441.13330 211.3
[M]+ 420.15808 201.1
[M]- 420.15918 201.1
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.