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 168.9
[M+Na]+ 344.06756 175.5
[M-H]- 320.07106 168.3
[M+NH4]+ 339.11216 183.4
[M+K]+ 360.04150 170.5
[M+H-H2O]+ 304.07560 163.4
[M+HCOO]- 366.07654 176.9
[M+CH3COO]- 380.09219 199.5
[M+Na-2H]- 342.05301 169.3
[M]+ 321.07779 165.7
[M]- 321.07889 165.7
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.