CID 125287511

Etofenamate palmitate

Structural Information

Molecular Formula
C34H48F3NO5
SMILES
CCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C34H48F3NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-32(39)42-25-23-41-24-26-43-33(40)30-20-15-16-21-31(30)38-29-19-17-18-28(27-29)34(35,36)37/h15-21,27,38H,2-14,22-26H2,1H3
InChIKey
XIWHBJZGLYSWGT-UHFFFAOYSA-N
Compound name
2-(2-hexadecanoyloxyethoxy)ethyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

607.34845 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.35573 252.0
[M+Na]+ 630.33767 256.3
[M+NH4]+ 625.38227 252.0
[M+K]+ 646.31161 248.6
[M-H]- 606.34117 248.6
[M+Na-2H]- 628.32312 251.6
[M]+ 607.34790 251.1
[M]- 607.34900 251.1
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.