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 247.7
[M+Na]+ 602.30636 247.2
[M-H]- 578.30986 247.1
[M+NH4]+ 597.35096 250.1
[M+K]+ 618.28030 241.7
[M+H-H2O]+ 562.31440 233.5
[M+HCOO]- 624.31534 261.2
[M+CH3COO]- 638.33099 258.5
[M+Na-2H]- 600.29181 242.2
[M]+ 579.31659 253.1
[M]- 579.31769 253.1
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.