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]+ 223.053576 146.5
[M+Na]+ 245.035518 155.0
[M-H]- 221.039024 151.2
[M+NH4]+ 240.080123 165.1
[M+K]+ 261.009458 150.5
[M+H-H2O]+ 205.043560 140.1
[M+HCOO]- 267.044501 164.0
[M+CH3COO]- 281.060151 185.2
[M+Na-2H]- 243.020966 147.2
[M]+ 222.04575142 145.1
[M]- 222.04684858 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.