CID 485129

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

Structural Information

Molecular Formula
C17H19ClN2O3S
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)C3N(C(CS3)C)C)Cl)C(=O)O
InChI
InChI=1S/C17H19ClN2O3S/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
GNKZIPUUIFMENW-UHFFFAOYSA-N
Compound name
6-chloro-7-(3,4-dimethyl-1,3-thiazolidin-2-yl)-1-ethyl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0805 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08778 182.7
[M+Na]+ 389.06972 193.8
[M-H]- 365.07322 187.5
[M+NH4]+ 384.11432 197.2
[M+K]+ 405.04366 187.2
[M+H-H2O]+ 349.07776 176.8
[M+HCOO]- 411.07870 189.9
[M+CH3COO]- 425.09435 213.3
[M+Na-2H]- 387.05517 178.6
[M]+ 366.07995 188.5
[M]- 366.08105 188.5
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.