CID 9630494

5-((4-chlorobenzoyl)oxy)-2-(2-decanoylcarbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C31H32Cl2N2O5
SMILES
CCCCCCCCCC(=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
InChI
InChI=1S/C31H32Cl2N2O5/c1-2-3-4-5-6-7-8-9-29(36)35-34-21-24-14-19-27(39-30(37)22-10-15-25(32)16-11-22)20-28(24)40-31(38)23-12-17-26(33)18-13-23/h10-21H,2-9H2,1H3,(H,35,36)/b34-21+
InChIKey
IHAUNGMVLMDESB-KEIPNQJHSA-N
Compound name
[3-(4-chlorobenzoyl)oxy-4-[(E)-(decanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.1688 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.17608 241.4
[M+Na]+ 605.15802 245.0
[M-H]- 581.16152 250.3
[M+NH4]+ 600.20262 245.8
[M+K]+ 621.13196 238.4
[M+H-H2O]+ 565.16606 230.8
[M+HCOO]- 627.16700 254.0
[M+CH3COO]- 641.18265 259.0
[M+Na-2H]- 603.14347 237.3
[M]+ 582.16825 251.9
[M]- 582.16935 251.9
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.