CID 217011

N-(2-((3-(trifluoromethyl)phenyl)amino)benzoyl)glycine ethyl ester

Structural Information

Molecular Formula
C18H17F3N2O3
SMILES
CCOC(=O)CNC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C18H17F3N2O3/c1-2-26-16(24)11-22-17(25)14-8-3-4-9-15(14)23-13-7-5-6-12(10-13)18(19,20)21/h3-10,23H,2,11H2,1H3,(H,22,25)
InChIKey
GRWCLGHZHMSVES-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-[3-(trifluoromethyl)anilino]benzoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.11914 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12642 182.6
[M+Na]+ 389.10836 188.0
[M-H]- 365.11186 185.0
[M+NH4]+ 384.15296 193.9
[M+K]+ 405.08230 184.0
[M+H-H2O]+ 349.11640 171.4
[M+HCOO]- 411.11734 201.8
[M+CH3COO]- 425.13299 219.1
[M+Na-2H]- 387.09381 184.5
[M]+ 366.11859 179.9
[M]- 366.11969 179.9
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

patents stripe