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]+ 294.061676 165.5
[M+Na]+ 316.043618 173.7
[M-H]- 292.047124 169.3
[M+NH4]+ 311.088223 181.8
[M+K]+ 332.017558 166.6
[M+H-H2O]+ 276.051660 159.4
[M+HCOO]- 338.052601 175.5
[M+CH3COO]- 352.068251 195.4
[M+Na-2H]- 314.029066 161.8
[M]+ 293.05385142 166.5
[M]- 293.05494858 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.