CID 1868552

3-thiazolidinebutanoic acid, 5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-, (5z)-

Structural Information

Molecular Formula
C15H15NO4S2
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O
InChI
InChI=1S/C15H15NO4S2/c1-20-11-6-4-10(5-7-11)9-12-14(19)16(15(21)22-12)8-2-3-13(17)18/h4-7,9H,2-3,8H2,1H3,(H,17,18)/b12-9+
InChIKey
WNSXQGARFJFRDC-FMIVXFBMSA-N
Compound name
4-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.04425 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.05153 178.0
[M+Na]+ 360.03347 186.9
[M+NH4]+ 355.07807 183.7
[M+K]+ 376.00741 179.6
[M-H]- 336.03697 178.6
[M+Na-2H]- 358.01892 179.6
[M]+ 337.04370 180.0
[M]- 337.04480 180.0
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.