CID 1868552

4-{5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid

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 175.6
[M+Na]+ 360.03347 183.3
[M-H]- 336.03697 179.4
[M+NH4]+ 355.07807 189.8
[M+K]+ 376.00741 176.9
[M+H-H2O]+ 320.04151 169.4
[M+HCOO]- 382.04245 184.6
[M+CH3COO]- 396.05810 203.7
[M+Na-2H]- 358.01892 170.6
[M]+ 337.04370 178.8
[M]- 337.04480 178.8
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.