CID 51060489

4-(2-palmitoylcarbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C30H41ClN2O3
SMILES
CCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C30H41ClN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-29(34)33-32-24-25-16-22-28(23-17-25)36-30(35)26-18-20-27(31)21-19-26/h16-24H,2-15H2,1H3,(H,33,34)/b32-24+
InChIKey
CSXHRFFOKISXFS-FEZSWGLMSA-N
Compound name
[4-[(E)-(hexadecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.2806 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.28788 233.8
[M+Na]+ 535.26982 234.8
[M-H]- 511.27332 239.0
[M+NH4]+ 530.31442 240.7
[M+K]+ 551.24376 227.4
[M+H-H2O]+ 495.27786 223.0
[M+HCOO]- 557.27880 250.8
[M+CH3COO]- 571.29445 250.9
[M+Na-2H]- 533.25527 230.3
[M]+ 512.28005 242.6
[M]- 512.28115 242.6
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.