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

literature stripe

Patent stripe

patents stripe