CID 4186502

5-((4-ethoxyanilino)methylene)-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C12H12N2O3S
SMILES
CCOC1=CC=C(C=C1)N=CC2=C(NC(=O)S2)O
InChI
InChI=1S/C12H12N2O3S/c1-2-17-9-5-3-8(4-6-9)13-7-10-11(15)14-12(16)18-10/h3-7,15H,2H2,1H3,(H,14,16)
InChIKey
FCSSQNNMNPQNTC-UHFFFAOYSA-N
Compound name
5-[(4-ethoxyphenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.05685 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.064126 156.3
[M+Na]+ 287.046068 165.9
[M-H]- 263.049574 161.5
[M+NH4]+ 282.090673 173.4
[M+K]+ 303.020008 161.0
[M+H-H2O]+ 247.054110 149.4
[M+HCOO]- 309.055051 176.3
[M+CH3COO]- 323.070701 192.1
[M+Na-2H]- 285.031516 158.0
[M]+ 264.05630142 159.8
[M]- 264.05739858 159.8
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.