CID 483133

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

Structural Information

Molecular Formula
C20H21N3O3S
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)N4CCCCC4)C(=O)O
InChI
InChI=1S/C20H21N3O3S/c1-2-22-11-15(19(25)26)18(24)14-7-6-13(10-17(14)22)16-12-27-20(21-16)23-8-4-3-5-9-23/h6-7,10-12H,2-5,8-9H2,1H3,(H,25,26)
InChIKey
GQANXQBKOYDTKG-UHFFFAOYSA-N
Compound name
1-ethyl-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

383.13037 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13765 189.7
[M+Na]+ 406.11959 198.5
[M-H]- 382.12309 195.7
[M+NH4]+ 401.16419 200.0
[M+K]+ 422.09353 191.8
[M+H-H2O]+ 366.12763 180.5
[M+HCOO]- 428.12857 200.7
[M+CH3COO]- 442.14422 198.7
[M+Na-2H]- 404.10504 187.9
[M]+ 383.12982 191.4
[M]- 383.13092 191.4
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.