CID 6393747

5-(phenylmethylene)-3-prop-2-enyl-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C13H11NO2S
SMILES
C=CCN1C(=O)/C(=C\C2=CC=CC=C2)/SC1=O
InChI
InChI=1S/C13H11NO2S/c1-2-8-14-12(15)11(17-13(14)16)9-10-6-4-3-5-7-10/h2-7,9H,1,8H2/b11-9+
InChIKey
HRPXYWVUPAZIOO-PKNBQFBNSA-N
Compound name
(5E)-5-benzylidene-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.05106 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05834 154.2
[M+Na]+ 268.04028 163.6
[M-H]- 244.04378 160.1
[M+NH4]+ 263.08488 173.0
[M+K]+ 284.01422 158.3
[M+H-H2O]+ 228.04832 147.8
[M+HCOO]- 290.04926 171.8
[M+CH3COO]- 304.06491 189.5
[M+Na-2H]- 266.02573 153.1
[M]+ 245.05051 155.1
[M]- 245.05161 155.1
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.