CID 483140

1-ethyl-6-fluoro-4-oxo-7-[2-(1-piperidyl)thiazol-4-yl]quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C20H20FN3O3S
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CSC(=N3)N4CCCCC4)F)C(=O)O
InChI
InChI=1S/C20H20FN3O3S/c1-2-23-10-14(19(26)27)18(25)13-8-15(21)12(9-17(13)23)16-11-28-20(22-16)24-6-4-3-5-7-24/h8-11H,2-7H2,1H3,(H,26,27)
InChIKey
MLNLGAADWCOETQ-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-(2-piperidin-1-yl-1,3-thiazol-4-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.12094 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.12822 192.8
[M+Na]+ 424.11016 202.5
[M-H]- 400.11366 197.7
[M+NH4]+ 419.15476 202.6
[M+K]+ 440.08410 195.3
[M+H-H2O]+ 384.11820 182.9
[M+HCOO]- 446.11914 202.7
[M+CH3COO]- 460.13479 201.6
[M+Na-2H]- 422.09561 189.7
[M]+ 401.12039 194.1
[M]- 401.12149 194.1
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.