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
4
Annotation Hits

4
References

2587
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 177.3
[M+Na]+ 360.11819 183.7
[M-H]- 336.12169 179.7
[M+NH4]+ 355.16279 190.4
[M+K]+ 376.09213 179.0
[M+H-H2O]+ 320.12623 166.5
[M+HCOO]- 382.12717 196.1
[M+CH3COO]- 396.14282 212.4
[M+Na-2H]- 358.10364 179.7
[M]+ 337.12842 175.2
[M]- 337.12952 175.2
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.