CID 3058688

Brn 0457906

Structural Information

Molecular Formula
C20H17F3N2O3
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H17F3N2O3/c1-3-28-19(27)16-17(14-9-4-5-10-15(14)25(2)18(16)26)24-13-8-6-7-12(11-13)20(21,22)23/h4-11,24H,3H2,1-2H3
InChIKey
RSIBKFZWLOWRMD-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-2-oxo-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.11914 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12642 190.4
[M+Na]+ 413.10836 200.0
[M-H]- 389.11186 193.4
[M+NH4]+ 408.15296 201.4
[M+K]+ 429.08230 194.3
[M+H-H2O]+ 373.11640 178.5
[M+HCOO]- 435.11734 207.0
[M+CH3COO]- 449.13299 223.9
[M+Na-2H]- 411.09381 193.1
[M]+ 390.11859 190.3
[M]- 390.11969 190.3
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.