CID 155543806

Chembl4525801

Structural Information

Molecular Formula
C14H15N3O4S
SMILES
COC1=CC2=C(C=C1C(=O)N)C3(C=CN2)NC(CS3)C(=O)O
InChI
InChI=1S/C14H15N3O4S/c1-21-11-5-9-8(4-7(11)12(15)18)14(2-3-16-9)17-10(6-22-14)13(19)20/h2-5,10,16-17H,6H2,1H3,(H2,15,18)(H,19,20)
InChIKey
QYIPJXXQVWUFIJ-UHFFFAOYSA-N
Compound name
6'-carbamoyl-7'-methoxyspiro[1,3-thiazolidine-2,4'-1H-quinoline]-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.07834 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08562 169.1
[M+Na]+ 344.06756 176.5
[M+NH4]+ 339.11216 175.8
[M+K]+ 360.04150 171.8
[M-H]- 320.07106 168.4
[M+Na-2H]- 342.05301 171.6
[M]+ 321.07779 170.0
[M]- 321.07889 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.