CID 35375

Etofenamate

Structural Information

Molecular Formula
C18H18F3NO4
SMILES
C1=CC=C(C(=C1)C(=O)OCCOCCO)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2
InChIKey
XILVEPYQJIOVNB-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

101
References

12543
Patents

369.1188 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.126076 182.9
[M+Na]+ 392.108018 188.5
[M-H]- 368.111524 183.8
[M+NH4]+ 387.152623 193.7
[M+K]+ 408.081958 184.3
[M+H-H2O]+ 352.116060 171.8
[M+HCOO]- 414.117001 200.5
[M+CH3COO]- 428.132651 214.2
[M+Na-2H]- 390.093466 185.2
[M]+ 369.11825142 181.8
[M]- 369.11934858 181.8
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

patents stripe