CID 51060168

4-(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)-2-methoxyphenyl 3,4-dichlorobenzoate

Structural Information

Molecular Formula
C24H18Cl4N2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC(=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(25)11-19(20)28)23(31)30-29-12-14-3-7-21(22(9-14)33-2)35-24(32)15-4-6-17(26)18(27)10-15/h3-13H,1-2H3,(H,30,31)/b29-12+
InChIKey
VSXVCBHVNSLHPK-XKJRVUDJSA-N
Compound name
[4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] 3,4-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 218.2
[M+Na]+ 576.98622 225.9
[M-H]- 552.98972 226.0
[M+NH4]+ 572.03082 224.9
[M+K]+ 592.96016 221.2
[M+H-H2O]+ 536.99426 211.2
[M+HCOO]- 598.99520 222.4
[M+CH3COO]- 613.01085 250.0
[M+Na-2H]- 574.97167 214.7
[M]+ 553.99645 228.3
[M]- 553.99755 228.3
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.