CID 483142

134812-33-2

Structural Information

Molecular Formula
C16H18N2O3S
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3CSCN3C)C(=O)O
InChI
InChI=1S/C16H18N2O3S/c1-3-18-7-12(16(20)21)15(19)11-5-4-10(6-13(11)18)14-8-22-9-17(14)2/h4-7,14H,3,8-9H2,1-2H3,(H,20,21)
InChIKey
FPYJJOMIDKJBPN-UHFFFAOYSA-N
Compound name
1-ethyl-7-(3-methyl-1,3-thiazolidin-4-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.10382 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11110 172.5
[M+Na]+ 341.09304 181.9
[M-H]- 317.09654 176.9
[M+NH4]+ 336.13764 187.5
[M+K]+ 357.06698 176.7
[M+H-H2O]+ 301.10108 165.6
[M+HCOO]- 363.10202 184.8
[M+CH3COO]- 377.11767 204.2
[M+Na-2H]- 339.07849 170.5
[M]+ 318.10327 175.1
[M]- 318.10437 175.1
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.