CID 51060329

4-(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)-2-ethoxyphenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C25H21Cl3N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H21Cl3N2O5/c1-3-33-23-12-16(4-10-22(23)35-25(32)17-5-7-18(26)8-6-17)14-29-30-24(31)15(2)34-21-11-9-19(27)13-20(21)28/h4-15H,3H2,1-2H3,(H,30,31)/b29-14+
InChIKey
KYNPHGMXVDYGSM-IPPBACCNSA-N
Compound name
[4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.0516 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.05888 221.2
[M+Na]+ 557.04082 235.6
[M+NH4]+ 552.08542 226.6
[M+K]+ 573.01476 226.7
[M-H]- 533.04432 226.4
[M+Na-2H]- 555.02627 228.6
[M]+ 534.05105 225.5
[M]- 534.05215 225.5
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.