CID 2830895

3-(4-methylphenyl)-5-[(4-methylphenyl)amino]-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C17H16N2O2S
SMILES
CC1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)C3=CC=C(C=C3)C
InChI
InChI=1S/C17H16N2O2S/c1-11-3-7-13(8-4-11)18-15-16(20)19(17(21)22-15)14-9-5-12(2)6-10-14/h3-10,15,18H,1-2H3
InChIKey
HKSDAVZYGBEOEJ-UHFFFAOYSA-N
Compound name
5-(4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09326 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10054 171.7
[M+Na]+ 335.08248 180.8
[M-H]- 311.08598 181.1
[M+NH4]+ 330.12708 187.5
[M+K]+ 351.05642 175.1
[M+H-H2O]+ 295.09052 163.8
[M+HCOO]- 357.09146 190.0
[M+CH3COO]- 371.10711 183.5
[M+Na-2H]- 333.06793 170.4
[M]+ 312.09271 173.0
[M]- 312.09381 173.0
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.