CID 51060633

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

Structural Information

Molecular Formula
C31H44N2O4
SMILES
CCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C31H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30(34)33-32-25-26-22-23-28(29(24-26)36-2)37-31(35)27-19-16-15-17-20-27/h15-17,19-20,22-25H,3-14,18,21H2,1-2H3,(H,33,34)/b32-25+
InChIKey
HMTUOUNZCJDYMH-WGPBWIAQSA-N
Compound name
[4-[(E)-(hexadecanoylhydrazinylidene)methyl]-2-methoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.3301 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.33738 233.7
[M+Na]+ 531.31932 233.1
[M-H]- 507.32282 238.7
[M+NH4]+ 526.36392 239.6
[M+K]+ 547.29326 228.1
[M+H-H2O]+ 491.32736 221.7
[M+HCOO]- 553.32830 255.0
[M+CH3COO]- 567.34395 252.5
[M+Na-2H]- 529.30477 230.3
[M]+ 508.32955 241.7
[M]- 508.33065 241.7
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.