CID 9864316

257883-22-0

Structural Information

Molecular Formula
C18H19N3O4S
SMILES
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=NC=C(C=C3)O
InChI
InChI=1S/C18H19N3O4S/c1-21(16-7-4-13(22)11-19-16)8-9-25-14-5-2-12(3-6-14)10-15-17(23)20-18(24)26-15/h2-7,11,15,22H,8-10H2,1H3,(H,20,23,24)
InChIKey
AGQGGZNSVNKGDU-UHFFFAOYSA-N
Compound name
5-[[4-[2-[(5-hydroxy-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

9
Patents

373.10962 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.116896 185.3
[M+Na]+ 396.098838 191.6
[M-H]- 372.102344 191.4
[M+NH4]+ 391.143443 195.7
[M+K]+ 412.072778 186.5
[M+H-H2O]+ 356.106880 176.3
[M+HCOO]- 418.107821 199.8
[M+CH3COO]- 432.123471 214.4
[M+Na-2H]- 394.084286 183.4
[M]+ 373.10907142 187.3
[M]- 373.11016858 187.3
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