CID 23582824

Gsk1059615

Structural Information

Molecular Formula
C18H11N3O2S
SMILES
C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4
InChI
InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-
InChIKey
QDITZBLZQQZVEE-YBEGLDIGSA-N
Compound name
(5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

3546
Patents

333.0572 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06448 177.1
[M+Na]+ 356.04642 187.3
[M-H]- 332.04992 183.1
[M+NH4]+ 351.09102 189.4
[M+K]+ 372.02036 179.1
[M+H-H2O]+ 316.05446 168.2
[M+HCOO]- 378.05540 190.1
[M+CH3COO]- 392.07105 187.2
[M+Na-2H]- 354.03187 177.7
[M]+ 333.05665 176.2
[M]- 333.05775 176.2
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

patents stripe