CID 5632

Ufenamate

Structural Information

Molecular Formula
C18H18F3NO2
SMILES
CCCCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C18H18F3NO2/c1-2-3-11-24-17(23)15-9-4-5-10-16(15)22-14-8-6-7-13(12-14)18(19,20)21/h4-10,12,22H,2-3,11H2,1H3
InChIKey
JDLSRXWHEBFHNC-UHFFFAOYSA-N
Compound name
butyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

2434
Patents

337.12897 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13625 180.0
[M+Na]+ 360.11819 189.2
[M+NH4]+ 355.16279 184.7
[M+K]+ 376.09213 182.7
[M-H]- 336.12169 179.1
[M+Na-2H]- 358.10364 185.2
[M]+ 337.12842 180.8
[M]- 337.12952 180.8
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