CID 3481368

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 237.06923 152.6
[M+Na]+ 259.05117 163.2
[M+NH4]+ 254.09577 160.2
[M+K]+ 275.02511 157.4
[M-H]- 235.05467 155.2
[M+Na-2H]- 257.03662 157.1
[M]+ 236.06140 155.0
[M]- 236.06250 155.0
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

No patent data available for this compound.