CID 10111070

122320-74-5

Structural Information

Molecular Formula
C18H17N3O3S
SMILES
CN(CCOC1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)S2)C3=CC=CC=N3
InChI
InChI=1S/C18H17N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,12H,10-11H2,1H3,(H,20,22,23)/b15-12+
InChIKey
HCDYSWMAMRPMST-NTCAYCPXSA-N
Compound name
(5E)-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

160
Patents

355.09906 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10634 182.3
[M+Na]+ 378.08828 193.6
[M+NH4]+ 373.13288 188.4
[M+K]+ 394.06222 186.9
[M-H]- 354.09178 186.2
[M+Na-2H]- 376.07373 189.0
[M]+ 355.09851 185.2
[M]- 355.09961 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe