CID 6478155

(5e)-5-[[5-(4-methoxyphenyl)-2-thienyl]methylene]-2-thioxo-thiazolidin-4-one

Structural Information

Molecular Formula
C15H11NO2S3
SMILES
COC1=CC=C(C=C1)C2=CC=C(S2)/C=C/3\C(=O)NC(=S)S3
InChI
InChI=1S/C15H11NO2S3/c1-18-10-4-2-9(3-5-10)12-7-6-11(20-12)8-13-14(17)16-15(19)21-13/h2-8H,1H3,(H,16,17,19)/b13-8+
InChIKey
XFGRVPWKUTWFMD-MDWZMJQESA-N
Compound name
(5E)-5-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.99518 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00246 175.4
[M+Na]+ 355.98440 186.4
[M-H]- 331.98790 182.8
[M+NH4]+ 351.02900 192.2
[M+K]+ 371.95834 177.9
[M+H-H2O]+ 315.99244 171.1
[M+HCOO]- 377.99338 182.4
[M+CH3COO]- 392.00903 186.1
[M+Na-2H]- 353.96985 170.1
[M]+ 332.99463 176.1
[M]- 332.99573 176.1
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.