CID 125323001

Etofenamate myristate

Structural Information

Molecular Formula
C32H44F3NO5
SMILES
CCCCCCCCCCCCCC(=O)OCCOCCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C32H44F3NO5/c1-2-3-4-5-6-7-8-9-10-11-12-20-30(37)40-23-21-39-22-24-41-31(38)28-18-13-14-19-29(28)36-27-17-15-16-26(25-27)32(33,34)35/h13-19,25,36H,2-12,20-24H2,1H3
InChIKey
VHVINFXBMACYKH-UHFFFAOYSA-N
Compound name
2-(2-tetradecanoyloxyethoxy)ethyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.31714 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.32442 244.0
[M+Na]+ 602.30636 248.7
[M+NH4]+ 597.35096 244.3
[M+K]+ 618.28030 241.4
[M-H]- 578.30986 240.7
[M+Na-2H]- 600.29181 244.1
[M]+ 579.31659 243.2
[M]- 579.31769 243.2
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.