CID 1351203

80030-91-7

Structural Information

Molecular Formula
C17H13NO2S
SMILES
C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=CC=C3)SC2=O
InChI
InChI=1S/C17H13NO2S/c19-16-15(11-13-7-3-1-4-8-13)21-17(20)18(16)12-14-9-5-2-6-10-14/h1-11H,12H2
InChIKey
XSROJBUXQRZBNF-UHFFFAOYSA-N
Compound name
3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

295.0667 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07398 168.0
[M+Na]+ 318.05592 176.8
[M-H]- 294.05942 176.9
[M+NH4]+ 313.10052 184.3
[M+K]+ 334.02986 170.6
[M+H-H2O]+ 278.06396 160.1
[M+HCOO]- 340.06490 185.6
[M+CH3COO]- 354.08055 179.8
[M+Na-2H]- 316.04137 167.2
[M]+ 295.06615 168.3
[M]- 295.06725 168.3
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

patents stripe