CID 576557

5-(2-toluidino)-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CC1=CC=CC=C1NC2C(=O)NC(=O)S2
InChI
InChI=1S/C10H10N2O2S/c1-6-4-2-3-5-7(6)11-9-8(13)12-10(14)15-9/h2-5,9,11H,1H3,(H,12,13,14)
InChIKey
FHDMQTCVTPKBMD-UHFFFAOYSA-N
Compound name
5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0463 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 146.5
[M+Na]+ 245.03552 155.0
[M-H]- 221.03902 151.2
[M+NH4]+ 240.08012 165.1
[M+K]+ 261.00946 150.5
[M+H-H2O]+ 205.04356 140.1
[M+HCOO]- 267.04450 164.0
[M+CH3COO]- 281.06015 185.2
[M+Na-2H]- 243.02097 147.2
[M]+ 222.04575 145.1
[M]- 222.04685 145.1
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.