CID 356393

Nsc611919

Structural Information

Molecular Formula
C17H15NO2S
SMILES
C1=CC=C(C=C1)CC2(C(=O)NC(=O)S2)CC3=CC=CC=C3
InChI
InChI=1S/C17H15NO2S/c19-15-17(21-16(20)18-15,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19,20)
InChIKey
XADWWQSOEBGCTC-UHFFFAOYSA-N
Compound name
5,5-dibenzyl-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.08234 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08962 168.3
[M+Na]+ 320.07156 176.3
[M-H]- 296.07506 175.6
[M+NH4]+ 315.11616 185.5
[M+K]+ 336.04550 170.1
[M+H-H2O]+ 280.07960 160.9
[M+HCOO]- 342.08054 184.3
[M+CH3COO]- 356.09619 179.5
[M+Na-2H]- 318.05701 169.2
[M]+ 297.08179 167.6
[M]- 297.08289 167.6
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.