CID 51060468

2-methoxy-4-(2-palmitoylcarbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C31H43ClN2O4
SMILES
CCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C31H43ClN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30(35)34-33-24-25-17-22-28(29(23-25)37-2)38-31(36)26-18-20-27(32)21-19-26/h17-24H,3-16H2,1-2H3,(H,34,35)/b33-24+
InChIKey
ZQYLVGXVYQLBSV-IWBSIUBASA-N
Compound name
[4-[(E)-(hexadecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.29114 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.29842 240.6
[M+Na]+ 565.28036 241.9
[M-H]- 541.28386 245.9
[M+NH4]+ 560.32496 246.5
[M+K]+ 581.25430 235.2
[M+H-H2O]+ 525.28840 229.7
[M+HCOO]- 587.28934 257.5
[M+CH3COO]- 601.30499 257.0
[M+Na-2H]- 563.26581 236.0
[M]+ 542.29059 251.5
[M]- 542.29169 251.5
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.