CID 51060233

5-((4-chlorobenzoyl)oxy)-2-(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C30H20Cl4N2O6
SMILES
CC(C(=O)N/N=C/C1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl)OC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C30H20Cl4N2O6/c1-17(40-26-13-11-23(33)14-25(26)34)28(37)36-35-16-20-6-12-24(41-29(38)18-2-7-21(31)8-3-18)15-27(20)42-30(39)19-4-9-22(32)10-5-19/h2-17H,1H3,(H,36,37)/b35-16+
InChIKey
MPNKKXDMYWYSAQ-QNVXDBMFSA-N
Compound name
[3-(4-chlorobenzoyl)oxy-4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

644.00757 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.01485 236.4
[M+Na]+ 666.99679 242.4
[M-H]- 643.00029 246.5
[M+NH4]+ 662.04139 239.0
[M+K]+ 682.97073 238.4
[M+H-H2O]+ 627.00483 227.4
[M+HCOO]- 689.00577 239.4
[M+CH3COO]- 703.02142 263.4
[M+Na-2H]- 664.98224 232.1
[M]+ 644.00702 246.9
[M]- 644.00812 246.9
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.