CID 3119527

307975-43-5

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CN(C1C(=O)NC(=O)S1)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2O2S/c1-12(7-5-3-2-4-6-7)9-8(13)11-10(14)15-9/h2-6,9H,1H3,(H,11,13,14)
InChIKey
HNFHTARURWZKBV-UHFFFAOYSA-N
Compound name
5-(N-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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 146.8
[M+Na]+ 245.03552 154.6
[M-H]- 221.03902 152.6
[M+NH4]+ 240.08012 165.7
[M+K]+ 261.00946 151.5
[M+H-H2O]+ 205.04356 140.0
[M+HCOO]- 267.04450 164.8
[M+CH3COO]- 281.06015 187.3
[M+Na-2H]- 243.02097 147.4
[M]+ 222.04575 146.3
[M]- 222.04685 146.3
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.