CID 54676662

4-hydroxy-1-methyl-2-oxo-n-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C18H13F3N2O3
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3C(F)(F)F)O
InChI
InChI=1S/C18H13F3N2O3/c1-23-13-9-5-2-6-10(13)15(24)14(17(23)26)16(25)22-12-8-4-3-7-11(12)18(19,20)21/h2-9,24H,1H3,(H,22,25)
InChIKey
IETCOGWKPNHDCA-UHFFFAOYSA-N
Compound name
4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

362.08783 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09511 181.0
[M+Na]+ 385.07705 191.1
[M-H]- 361.08055 183.1
[M+NH4]+ 380.12165 192.5
[M+K]+ 401.05099 185.1
[M+H-H2O]+ 345.08509 170.0
[M+HCOO]- 407.08603 196.9
[M+CH3COO]- 421.10168 215.8
[M+Na-2H]- 383.06250 184.4
[M]+ 362.08728 178.5
[M]- 362.08838 178.5
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.