CID 2132054

5-(4-butoxy-benzylidene)-2-thioxo-thiazolidin-4-one

Structural Information

Molecular Formula
C14H15NO2S2
SMILES
CCCCOC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2
InChI
InChI=1S/C14H15NO2S2/c1-2-3-8-17-11-6-4-10(5-7-11)9-12-13(16)15-14(18)19-12/h4-7,9H,2-3,8H2,1H3,(H,15,16,18)/b12-9+
InChIKey
KKXCNLPOQHINCO-FMIVXFBMSA-N
Compound name
(5E)-5-[(4-butoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0544 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06168 165.5
[M+Na]+ 316.04362 173.7
[M-H]- 292.04712 169.3
[M+NH4]+ 311.08822 181.8
[M+K]+ 332.01756 166.6
[M+H-H2O]+ 276.05166 159.4
[M+HCOO]- 338.05260 175.5
[M+CH3COO]- 352.06825 195.4
[M+Na-2H]- 314.02907 161.8
[M]+ 293.05385 166.5
[M]- 293.05495 166.5
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.