CID 14018343

16-feruloyloxypalmitate

Structural Information

Molecular Formula
C26H40O6
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)O)O
InChI
InChI=1S/C26H40O6/c1-31-24-21-22(16-18-23(24)27)17-19-26(30)32-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-25(28)29/h16-19,21,27H,2-15,20H2,1H3,(H,28,29)/b19-17+
InChIKey
DCZDUZNVOVFUCD-HTXNQAPBSA-N
Compound name
16-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

448.2825 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.28978 215.2
[M+Na]+ 471.27172 216.0
[M-H]- 447.27522 213.4
[M+NH4]+ 466.31632 222.6
[M+K]+ 487.24566 211.2
[M+H-H2O]+ 431.27976 206.3
[M+HCOO]- 493.28070 230.7
[M+CH3COO]- 507.29635 229.4
[M+Na-2H]- 469.25717 209.9
[M]+ 448.28195 223.3
[M]- 448.28305 223.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.