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

81
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 150.0
[M+Na]+ 258.01954 159.2
[M-H]- 234.02304 154.7
[M+NH4]+ 253.06414 168.4
[M+K]+ 273.99348 154.6
[M+H-H2O]+ 218.02758 143.9
[M+HCOO]- 280.02852 166.7
[M+CH3COO]- 294.04417 183.9
[M+Na-2H]- 256.00499 149.6
[M]+ 235.02977 150.4
[M]- 235.03087 150.4
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