CID 9663148

4-(2-((2,4-dichlorophenoxy)acetyl)carbohydrazonoyl)-2-meo-phenyl 3-ph-acrylate

Structural Information

Molecular Formula
C25H20Cl2N2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C=C(C=C2)Cl)Cl)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C25H20Cl2N2O5/c1-32-23-13-18(7-10-22(23)34-25(31)12-8-17-5-3-2-4-6-17)15-28-29-24(30)16-33-21-11-9-19(26)14-20(21)27/h2-15H,16H2,1H3,(H,29,30)/b12-8+,28-15+
InChIKey
YYWYUJQMEOHCCU-QSYKBLARSA-N
Compound name
[4-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.07492 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.08220 216.1
[M+Na]+ 521.06414 222.7
[M-H]- 497.06764 226.1
[M+NH4]+ 516.10874 224.1
[M+K]+ 537.03808 216.5
[M+H-H2O]+ 481.07218 206.4
[M+HCOO]- 543.07312 231.7
[M+CH3COO]- 557.08877 241.4
[M+Na-2H]- 519.04959 216.0
[M]+ 498.07437 225.2
[M]- 498.07547 225.2
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.