CID 12052430

3-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
C1C(=O)N(C(=O)S1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C10H10N2O2S/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4H,5-6,11H2
InChIKey
APBKQOXUQZQDBA-UHFFFAOYSA-N
Compound name
3-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

222.0463 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 147.9
[M+Na]+ 245.03552 158.6
[M+NH4]+ 240.08012 155.9
[M+K]+ 261.00946 152.8
[M-H]- 221.03902 150.8
[M+Na-2H]- 243.02097 153.0
[M]+ 222.04575 150.4
[M]- 222.04685 150.4
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