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: 1
Patents: 366.11914 Da
Monoisotopic Mass: 5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	367.126416	182.6
[M+Na]+	389.108358	188.0
[M-H]-	365.111864	185.0
[M+NH4]+	384.152963	193.9
[M+K]+	405.082298	184.0
[M+H-H2O]+	349.116400	171.4
[M+HCOO]-	411.117341	201.8
[M+CH3COO]-	425.132991	219.1
[M+Na-2H]-	387.093806	184.5
[M]+	366.11859142	179.9
[M]-	366.11968858	179.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe