CID 9669032

5-((4-cl-benzoyl)oxy)-2-(2-(2-methoxybenzoyl)carbohydrazonoyl)ph 4-cl-benzoate

Structural Information

Molecular Formula
C29H20Cl2N2O6
SMILES
COC1=CC=CC=C1C(=O)N/N=C/C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C29H20Cl2N2O6/c1-37-25-5-3-2-4-24(25)27(34)33-32-17-20-10-15-23(38-28(35)18-6-11-21(30)12-7-18)16-26(20)39-29(36)19-8-13-22(31)14-9-19/h2-17H,1H3,(H,33,34)/b32-17+
InChIKey
OIHZVLJWELQITL-VTNSRFBWSA-N
Compound name
[3-(4-chlorobenzoyl)oxy-4-[(E)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.0698 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.07708 229.8
[M+Na]+ 585.05902 235.7
[M-H]- 561.06252 242.7
[M+NH4]+ 580.10362 234.4
[M+K]+ 601.03296 230.9
[M+H-H2O]+ 545.06706 218.5
[M+HCOO]- 607.06800 244.2
[M+CH3COO]- 621.08365 253.2
[M+Na-2H]- 583.04447 228.7
[M]+ 562.06925 239.0
[M]- 562.07035 239.0
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.