CID 51060332

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

Structural Information

Molecular Formula
C30H30Cl2N2O5
SMILES
CCCCCCCCC(=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/C30H30Cl2N2O5/c1-2-3-4-5-6-7-8-28(35)34-33-20-23-13-18-26(38-29(36)21-9-14-24(31)15-10-21)19-27(23)39-30(37)22-11-16-25(32)17-12-22/h9-20H,2-8H2,1H3,(H,34,35)/b33-20+
InChIKey
LIMCQCSDRBXFIF-FMFFXOCNSA-N
Compound name
[3-(4-chlorobenzoyl)oxy-4-[(E)-(nonanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.1532 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.16048 237.1
[M+Na]+ 591.14242 241.2
[M-H]- 567.14592 246.2
[M+NH4]+ 586.18702 242.1
[M+K]+ 607.11636 234.7
[M+H-H2O]+ 551.15046 226.7
[M+HCOO]- 613.15140 250.1
[M+CH3COO]- 627.16705 256.2
[M+Na-2H]- 589.12787 233.5
[M]+ 568.15265 247.3
[M]- 568.15375 247.3
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.