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]+ 312.10304 171.5
[M+Na]+ 334.08498 186.5
[M+NH4]+ 329.12958 178.3
[M+K]+ 350.05892 178.8
[M-H]- 310.08848 173.8
[M+Na-2H]- 332.07043 178.8
[M]+ 311.09521 174.3
[M]- 311.09631 174.3
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