CID 483143

7-(2,3-dimethyl-4-thiazolidnyl)-1-ethyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H20N2O3S
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3CSC(N3C)C)C(=O)O
InChI
InChI=1S/C17H20N2O3S/c1-4-19-8-13(17(21)22)16(20)12-6-5-11(7-14(12)19)15-9-23-10(2)18(15)3/h5-8,10,15H,4,9H2,1-3H3,(H,21,22)
InChIKey
TYJSWLXLMAQZDJ-UHFFFAOYSA-N
Compound name
7-(2,3-dimethyl-1,3-thiazolidin-4-yl)-1-ethyl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.11948 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12676 176.8
[M+Na]+ 355.10870 186.5
[M-H]- 331.11220 181.3
[M+NH4]+ 350.15330 191.5
[M+K]+ 371.08264 181.2
[M+H-H2O]+ 315.11674 170.0
[M+HCOO]- 377.11768 188.7
[M+CH3COO]- 391.13333 208.5
[M+Na-2H]- 353.09415 173.7
[M]+ 332.11893 180.2
[M]- 332.12003 180.2
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.