CID 11816685

2-(4-aminophenyl)-1lambda6,2-thiazolidine-1,1-dione

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H12N2O2S/c10-8-2-4-9(5-3-8)11-6-1-7-14(11,12)13/h2-5H,1,6-7,10H2
InChIKey
BISNTORNTSHTAX-UHFFFAOYSA-N
Compound name
4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

51
Patents

212.06195 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 142.2
[M+Na]+ 235.05117 151.6
[M-H]- 211.05467 147.9
[M+NH4]+ 230.09577 163.5
[M+K]+ 251.02511 148.2
[M+H-H2O]+ 195.05921 136.3
[M+HCOO]- 257.06015 161.0
[M+CH3COO]- 271.07580 182.5
[M+Na-2H]- 233.03662 144.9
[M]+ 212.06140 141.4
[M]- 212.06250 141.4
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

patents stripe