CID 483144

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

Structural Information

Molecular Formula
C16H17FN2O3S
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)C3CSCN3C)F)C(=O)O
InChI
InChI=1S/C16H17FN2O3S/c1-3-19-6-11(16(21)22)15(20)10-4-12(17)9(5-13(10)19)14-7-23-8-18(14)2/h4-6,14H,3,7-8H2,1-2H3,(H,21,22)
InChIKey
HTRRHKWAZNUTIC-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-7-(3-methyl-1,3-thiazolidin-4-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0944 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10168 175.0
[M+Na]+ 359.08362 185.2
[M-H]- 335.08712 178.3
[M+NH4]+ 354.12822 189.4
[M+K]+ 375.05756 179.5
[M+H-H2O]+ 319.09166 167.3
[M+HCOO]- 381.09260 186.2
[M+CH3COO]- 395.10825 208.1
[M+Na-2H]- 357.06907 171.8
[M]+ 336.09385 177.0
[M]- 336.09495 177.0
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.