CID 483141

1-ethyl-6-fluoro-4-oxo-7-(2-phenylthiazol-4-yl)quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C21H15FN2O3S
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CSC(=N3)C4=CC=CC=C4)F)C(=O)O
InChI
InChI=1S/C21H15FN2O3S/c1-2-24-10-15(21(26)27)19(25)14-8-16(22)13(9-18(14)24)17-11-28-20(23-17)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,26,27)
InChIKey
PWVVBJBFDFTFDD-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-(2-phenyl-1,3-thiazol-4-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.07874 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08602 191.0
[M+Na]+ 417.06796 203.2
[M-H]- 393.07146 198.4
[M+NH4]+ 412.11256 202.6
[M+K]+ 433.04190 195.5
[M+H-H2O]+ 377.07600 181.5
[M+HCOO]- 439.07694 206.0
[M+CH3COO]- 453.09259 201.6
[M+Na-2H]- 415.05341 190.2
[M]+ 394.07819 196.1
[M]- 394.07929 196.1
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.