CID 131769972

5-[[4-[2-[(5-hydroxy-2-pyridinyl)amino]ethoxy]phenyl]methyl]-2,4-thiazolidinedione

Structural Information

Molecular Formula
C17H17N3O4S
SMILES
C1=CC(=CC=C1CC2C(=O)NC(=O)S2)OCCNC3=NC=C(C=C3)O
InChI
InChI=1S/C17H17N3O4S/c21-12-3-6-15(19-10-12)18-7-8-24-13-4-1-11(2-5-13)9-14-16(22)20-17(23)25-14/h1-6,10,14,21H,7-9H2,(H,18,19)(H,20,22,23)
InChIKey
SVUUNTJZVPNZSL-UHFFFAOYSA-N
Compound name
5-[[4-[2-[(5-hydroxy-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

359.09396 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.101236 180.4
[M+Na]+ 382.083178 187.1
[M-H]- 358.086684 185.2
[M+NH4]+ 377.127783 190.8
[M+K]+ 398.057118 180.8
[M+H-H2O]+ 342.091220 171.7
[M+HCOO]- 404.092161 194.8
[M+CH3COO]- 418.107811 208.3
[M+Na-2H]- 380.068626 179.7
[M]+ 359.09341142 180.9
[M]- 359.09450858 180.9
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.