CID 5373936

5-(4-methoxybenzylidene)-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C11H9NO3S
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)S2
InChI
InChI=1S/C11H9NO3S/c1-15-8-4-2-7(3-5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)/b9-6-
InChIKey
VRUKGUBMRBLJJW-TWGQIWQCSA-N
Compound name
(5Z)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

80
Patents

235.03032 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.03760 152.2
[M+Na]+ 258.01954 163.3
[M+NH4]+ 253.06414 159.4
[M+K]+ 273.99348 157.2
[M-H]- 234.02304 153.7
[M+Na-2H]- 256.00499 156.5
[M]+ 235.02977 154.3
[M]- 235.03087 154.3
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