CID 483127

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

Structural Information

Molecular Formula
C15H12N2O3S
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC=N3)C(=O)O
InChI
InChI=1S/C15H12N2O3S/c1-2-17-6-11(15(19)20)14(18)10-4-3-9(5-13(10)17)12-7-21-8-16-12/h3-8H,2H2,1H3,(H,19,20)
InChIKey
LAJAAJXPAIDVBV-UHFFFAOYSA-N
Compound name
1-ethyl-4-oxo-7-(1,3-thiazol-4-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.05685 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06413 165.7
[M+Na]+ 323.04607 177.8
[M-H]- 299.04957 171.2
[M+NH4]+ 318.09067 181.4
[M+K]+ 339.02001 172.1
[M+H-H2O]+ 283.05411 158.6
[M+HCOO]- 345.05505 182.7
[M+CH3COO]- 359.07070 178.1
[M+Na-2H]- 321.03152 167.5
[M]+ 300.05630 171.7
[M]- 300.05740 171.7
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.