CID 483136

1-ethyl-6-fluoro-4-oxo-7-thiazol-4-yl-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C15H11FN2O3S
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CSC=N3)F)C(=O)O
InChI
InChI=1S/C15H11FN2O3S/c1-2-18-5-10(15(20)21)14(19)9-3-11(16)8(4-13(9)18)12-6-22-7-17-12/h3-7H,2H2,1H3,(H,20,21)
InChIKey
ABQSXQNLQWHVAK-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-(1,3-thiazol-4-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.04745 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05473 168.0
[M+Na]+ 341.03667 180.9
[M-H]- 317.04017 172.4
[M+NH4]+ 336.08127 183.2
[M+K]+ 357.01061 174.8
[M+H-H2O]+ 301.04471 160.1
[M+HCOO]- 363.04565 183.9
[M+CH3COO]- 377.06130 180.2
[M+Na-2H]- 339.02212 168.6
[M]+ 318.04690 173.5
[M]- 318.04800 173.5
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.