CID 485125

6-chloro-1-ethyl-4-oxo-7-thiazol-2-yl-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C15H11ClN2O3S
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=NC=CS3)Cl)C(=O)O
InChI
InChI=1S/C15H11ClN2O3S/c1-2-18-7-10(15(20)21)13(19)9-5-11(16)8(6-12(9)18)14-17-3-4-22-14/h3-7H,2H2,1H3,(H,20,21)
InChIKey
VEZPLYFSYRJICB-UHFFFAOYSA-N
Compound name
6-chloro-1-ethyl-4-oxo-7-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.01788 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02516 171.3
[M+Na]+ 357.00710 184.8
[M-H]- 333.01060 177.1
[M+NH4]+ 352.05170 186.8
[M+K]+ 372.98104 177.9
[M+H-H2O]+ 317.01514 165.0
[M+HCOO]- 379.01608 183.6
[M+CH3COO]- 393.03173 183.7
[M+Na-2H]- 354.99255 172.1
[M]+ 334.01733 179.7
[M]- 334.01843 179.7
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.