CID 485127

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

Structural Information

Molecular Formula
C17H19FN2O3S
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)C3N(C(CS3)C)C)F)C(=O)O
InChI
InChI=1S/C17H19FN2O3S/c1-4-20-7-12(17(22)23)15(21)11-5-13(18)10(6-14(11)20)16-19(3)9(2)8-24-16/h5-7,9,16H,4,8H2,1-3H3,(H,22,23)
InChIKey
BQWIRICUYQNTPZ-UHFFFAOYSA-N
Compound name
7-(3,4-dimethyl-1,3-thiazolidin-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.11005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11733 179.3
[M+Na]+ 373.09927 189.8
[M-H]- 349.10277 182.7
[M+NH4]+ 368.14387 193.4
[M+K]+ 389.07321 184.0
[M+H-H2O]+ 333.10731 171.8
[M+HCOO]- 395.10825 190.0
[M+CH3COO]- 409.12390 212.4
[M+Na-2H]- 371.08472 175.0
[M]+ 350.10950 182.1
[M]- 350.11060 182.1
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.