CID 198806

Colfenamate

Structural Information

Molecular Formula
C16H13F3N2O3
SMILES
C1=CC=C(C(=C1)C(=O)OCC(=O)N)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C16H13F3N2O3/c17-16(18,19)10-4-3-5-11(8-10)21-13-7-2-1-6-12(13)15(23)24-9-14(20)22/h1-8,21H,9H2,(H2,20,22)
InChIKey
QNIUBYBLEIJTNS-UHFFFAOYSA-N
Compound name
(2-amino-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

338.08783 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09511 173.6
[M+Na]+ 361.07705 179.8
[M-H]- 337.08055 175.9
[M+NH4]+ 356.12165 185.7
[M+K]+ 377.05099 176.0
[M+H-H2O]+ 321.08509 162.8
[M+HCOO]- 383.08603 192.8
[M+CH3COO]- 397.10168 213.3
[M+Na-2H]- 359.06250 175.5
[M]+ 338.08728 169.3
[M]- 338.08838 169.3
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.