CID 3346483

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

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
CC1=CC=CC=C1N=CC2=C(NC(=O)S2)O
InChI
InChI=1S/C11H10N2O2S/c1-7-4-2-3-5-8(7)12-6-9-10(14)13-11(15)16-9/h2-6,14H,1H3,(H,13,15)
InChIKey
NJECOAHOOUISME-UHFFFAOYSA-N
Compound name
4-hydroxy-5-[(2-methylphenyl)iminomethyl]-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0463 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 148.9
[M+Na]+ 257.03552 159.2
[M-H]- 233.03902 154.3
[M+NH4]+ 252.08012 167.3
[M+K]+ 273.00946 154.0
[M+H-H2O]+ 217.04356 142.4
[M+HCOO]- 279.04450 169.0
[M+CH3COO]- 293.06015 186.9
[M+Na-2H]- 255.02097 150.9
[M]+ 234.04575 150.6
[M]- 234.04685 150.6
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.