CID 9638806

3-(2-stearoylcarbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C33H48N2O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C33H48N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32(36)35-34-27-28-19-18-20-31(26-28)39-33(37)29-22-24-30(38-2)25-23-29/h18-20,22-27H,3-17,21H2,1-2H3,(H,35,36)/b34-27+
InChIKey
YBICVHNYEUSAJL-DNGXXSEMSA-N
Compound name
[3-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.3614 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.36868 242.3
[M+Na]+ 559.35062 240.7
[M-H]- 535.35412 246.7
[M+NH4]+ 554.39522 246.9
[M+K]+ 575.32456 235.4
[M+H-H2O]+ 519.35866 229.8
[M+HCOO]- 581.35960 262.8
[M+CH3COO]- 595.37525 258.2
[M+Na-2H]- 557.33607 237.8
[M]+ 536.36085 250.9
[M]- 536.36195 250.9
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.