CID 9687972

5-((4-chlorobenzoyl)oxy)-2-(2-(4-methylbenzoyl)carbohydrazonoyl)ph 4-cl-benzoate

Structural Information

Molecular Formula
C29H20Cl2N2O5
SMILES
CC1=CC=C(C=C1)C(=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/C29H20Cl2N2O5/c1-18-2-4-19(5-3-18)27(34)33-32-17-22-10-15-25(37-28(35)20-6-11-23(30)12-7-20)16-26(22)38-29(36)21-8-13-24(31)14-9-21/h2-17H,1H3,(H,33,34)/b32-17+
InChIKey
CMKNJUQCJUICAV-VTNSRFBWSA-N
Compound name
[3-(4-chlorobenzoyl)oxy-4-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.07495 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.08223 228.6
[M+Na]+ 569.06417 244.9
[M+NH4]+ 564.10877 234.3
[M+K]+ 585.03811 235.1
[M-H]- 545.06767 236.8
[M+Na-2H]- 567.04962 239.2
[M]+ 546.07440 233.9
[M]- 546.07550 233.9
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.