CID 3022163

3-quinolinecarboxylic acid, 6-fluoro-4-hydroxy-2-phenyl-, ethyl ester

Structural Information

Molecular Formula
C18H14FNO3
SMILES
CCOC(=O)C1=C(NC2=C(C1=O)C=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C18H14FNO3/c1-2-23-18(22)15-16(11-6-4-3-5-7-11)20-14-9-8-12(19)10-13(14)17(15)21/h3-10H,2H2,1H3,(H,20,21)
InChIKey
LKHRNCAHJFLSGT-UHFFFAOYSA-N
Compound name
ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

311.09576 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.103036 169.8
[M+Na]+ 334.084978 179.4
[M-H]- 310.088484 174.0
[M+NH4]+ 329.129583 183.5
[M+K]+ 350.058918 173.5
[M+H-H2O]+ 294.093020 160.2
[M+HCOO]- 356.093961 188.5
[M+CH3COO]- 370.109611 204.2
[M+Na-2H]- 332.070426 173.7
[M]+ 311.09521142 170.3
[M]- 311.09630858 170.3
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

patents stripe