CID 45055250

765285-88-9

Structural Information

Molecular Formula
C26H22Cl2N2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)/C=C/C2=CC=CC=C2)OC)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C26H22Cl2N2O5/c1-17(34-22-12-10-20(27)15-21(22)28)26(32)30-29-16-19-8-11-23(24(14-19)33-2)35-25(31)13-9-18-6-4-3-5-7-18/h3-17H,1-2H3,(H,30,32)/b13-9+,29-16+
InChIKey
IKNANDMFTVLOGB-ZQJDJTLGSA-N
Compound name
[4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.0906 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.09788 219.3
[M+Na]+ 535.07982 233.1
[M+NH4]+ 530.12442 224.4
[M+K]+ 551.05376 224.4
[M-H]- 511.08332 224.7
[M+Na-2H]- 533.06527 227.1
[M]+ 512.09005 223.2
[M]- 512.09115 223.2
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.