CID 2874718

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

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
CC1=CC(=C(C=C1)NC2C(=O)NC(=O)S2)C
InChI
InChI=1S/C11H12N2O2S/c1-6-3-4-8(7(2)5-6)12-10-9(14)13-11(15)16-10/h3-5,10,12H,1-2H3,(H,13,14,15)
InChIKey
LQZFABJMPRNPCJ-UHFFFAOYSA-N
Compound name
5-(2,4-dimethylanilino)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

236.06195 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.069226 150.8
[M+Na]+ 259.051168 159.7
[M-H]- 235.054674 155.7
[M+NH4]+ 254.095773 169.1
[M+K]+ 275.025108 155.0
[M+H-H2O]+ 219.059210 144.5
[M+HCOO]- 281.060151 167.9
[M+CH3COO]- 295.075801 189.4
[M+Na-2H]- 257.036616 150.3
[M]+ 236.06140142 150.1
[M]- 236.06249858 150.1
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.