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]+ 265.06413 156.3
[M+Na]+ 287.04607 165.9
[M-H]- 263.04957 161.5
[M+NH4]+ 282.09067 173.4
[M+K]+ 303.02001 161.0
[M+H-H2O]+ 247.05411 149.4
[M+HCOO]- 309.05505 176.3
[M+CH3COO]- 323.07070 192.1
[M+Na-2H]- 285.03152 158.0
[M]+ 264.05630 159.8
[M]- 264.05740 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.