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
3
Annotation Hits

4
References

2501
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

literature stripe

Patent stripe

patents stripe