CID 419008

108651-20-3

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
C1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CCN
InChI
InChI=1S/C12H12N2O2S/c13-6-7-14-11(15)10(17-12(14)16)8-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2
InChIKey
IVEJXGNFULDNLM-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-5-benzylidene-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

248.06195 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06923 156.4
[M+Na]+ 271.05117 166.8
[M+NH4]+ 266.09577 163.8
[M+K]+ 287.02511 160.3
[M-H]- 247.05467 159.0
[M+Na-2H]- 269.03662 160.9
[M]+ 248.06140 158.8
[M]- 248.06250 158.8
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.