CID 217012

38004-33-0

Structural Information

Molecular Formula
C20H19F3N2O5
SMILES
CCOC(=O)CNC(=O)COC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C20H19F3N2O5/c1-2-29-18(27)11-24-17(26)12-30-19(28)15-8-3-4-9-16(15)25-14-7-5-6-13(10-14)20(21,22)23/h3-10,25H,2,11-12H2,1H3,(H,24,26)
InChIKey
LUTKKCRVMWQDLG-UHFFFAOYSA-N
Compound name
[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1246 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.13188 195.7
[M+Na]+ 447.11382 199.9
[M-H]- 423.11732 197.9
[M+NH4]+ 442.15842 204.4
[M+K]+ 463.08776 197.1
[M+H-H2O]+ 407.12186 184.0
[M+HCOO]- 469.12280 213.8
[M+CH3COO]- 483.13845 228.8
[M+Na-2H]- 445.09927 196.0
[M]+ 424.12405 195.1
[M]- 424.12515 195.1
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.