CID 51060434

4-(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)-2-methoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C24H18Cl4N2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)OC)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H18Cl4N2O5/c1-13(34-20-8-5-16(26)11-19(20)28)23(31)30-29-12-14-3-7-21(22(9-14)33-2)35-24(32)17-6-4-15(25)10-18(17)27/h3-13H,1-2H3,(H,30,31)/b29-12+
InChIKey
PFKBNQOTMHJZRR-XKJRVUDJSA-N
Compound name
[4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.997 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.00428 222.6
[M+Na]+ 576.98622 237.2
[M+NH4]+ 572.03082 228.0
[M+K]+ 592.96016 228.2
[M-H]- 552.98972 227.2
[M+Na-2H]- 574.97167 229.3
[M]+ 553.99645 227.1
[M]- 553.99755 227.1
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.