CID 51060366

5-((4-chlorobenzoyl)oxy)-2-(2-(2-(3-chlorophenoxy)propanoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C30H21Cl3N2O6
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=CC(=CC=C4)Cl
InChI
InChI=1S/C30H21Cl3N2O6/c1-18(39-25-4-2-3-24(33)15-25)28(36)35-34-17-21-9-14-26(40-29(37)19-5-10-22(31)11-6-19)16-27(21)41-30(38)20-7-12-23(32)13-8-20/h2-18H,1H3,(H,35,36)/b34-17+
InChIKey
OJZJWKPDWXLUQV-KVAAJVFYSA-N
Compound name
[3-(4-chlorobenzoyl)oxy-4-[(E)-[2-(3-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.0465 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.05378 234.8
[M+Na]+ 633.03572 240.2
[M-H]- 609.03922 246.4
[M+NH4]+ 628.08032 238.1
[M+K]+ 649.00966 235.7
[M+H-H2O]+ 593.04376 224.7
[M+HCOO]- 655.04470 243.0
[M+CH3COO]- 669.06035 259.7
[M+Na-2H]- 631.02117 231.9
[M]+ 610.04595 245.0
[M]- 610.04705 245.0
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.