CID 485128

1-ethyl-6-fluoro-4-oxo-7-(3,4,5-trimethylthiazolidin-2-yl)quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C18H21FN2O3S
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)C3N(C(C(S3)C)C)C)F)C(=O)O
InChI
InChI=1S/C18H21FN2O3S/c1-5-21-8-13(18(23)24)16(22)12-6-14(19)11(7-15(12)21)17-20(4)9(2)10(3)25-17/h6-10,17H,5H2,1-4H3,(H,23,24)
InChIKey
ZNZMZGBKTXYQTG-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-(3,4,5-trimethyl-1,3-thiazolidin-2-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1257 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13298 183.5
[M+Na]+ 387.11492 194.3
[M-H]- 363.11842 187.1
[M+NH4]+ 382.15952 197.3
[M+K]+ 403.08886 188.4
[M+H-H2O]+ 347.12296 176.1
[M+HCOO]- 409.12390 193.8
[M+CH3COO]- 423.13955 216.7
[M+Na-2H]- 385.10037 178.0
[M]+ 364.12515 187.0
[M]- 364.12625 187.0
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.