CID 193127

Triethylene glycol flufenamate

Structural Information

Molecular Formula
C20H22F3NO5
SMILES
C1=CC=C(C(=C1)C(=O)OCCOCCOCCO)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C20H22F3NO5/c21-20(22,23)15-4-3-5-16(14-15)24-18-7-2-1-6-17(18)19(26)29-13-12-28-11-10-27-9-8-25/h1-7,14,24-25H,8-13H2
InChIKey
ZXGVSDYGFHPLNX-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.14502 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.15230 194.5
[M+Na]+ 436.13424 198.9
[M-H]- 412.13774 194.9
[M+NH4]+ 431.17884 203.3
[M+K]+ 452.10818 195.1
[M+H-H2O]+ 396.14228 182.7
[M+HCOO]- 458.14322 211.6
[M+CH3COO]- 472.15887 222.2
[M+Na-2H]- 434.11969 195.9
[M]+ 413.14447 195.5
[M]- 413.14557 195.5
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.