CID 483128

1-ethyl-7-(2-methylthiazol-4-yl)-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C16H14N2O3S
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)C)C(=O)O
InChI
InChI=1S/C16H14N2O3S/c1-3-18-7-12(16(20)21)15(19)11-5-4-10(6-14(11)18)13-8-22-9(2)17-13/h4-8H,3H2,1-2H3,(H,20,21)
InChIKey
ZIGKQBMKZUFQPS-UHFFFAOYSA-N
Compound name
1-ethyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0725 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07978 170.1
[M+Na]+ 337.06172 182.6
[M-H]- 313.06522 175.8
[M+NH4]+ 332.10632 185.6
[M+K]+ 353.03566 176.7
[M+H-H2O]+ 297.06976 163.1
[M+HCOO]- 359.07070 186.7
[M+CH3COO]- 373.08635 182.5
[M+Na-2H]- 335.04717 170.8
[M]+ 314.07195 176.9
[M]- 314.07305 176.9
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.