CID 1555117

Stk874232

Structural Information

Molecular Formula
C18H15NO2S2
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3
InChI
InChI=1S/C18H15NO2S2/c1-21-15-9-7-13(8-10-15)11-16-17(20)19(18(22)23-16)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3/b16-11+
InChIKey
OWNHXUOXVIGEPW-LFIBNONCSA-N
Compound name
(5E)-3-benzyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0544 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06168 178.2
[M+Na]+ 364.04362 187.8
[M-H]- 340.04712 186.9
[M+NH4]+ 359.08822 193.3
[M+K]+ 380.01756 180.1
[M+H-H2O]+ 324.05166 171.1
[M+HCOO]- 386.05260 190.2
[M+CH3COO]- 400.06825 189.1
[M+Na-2H]- 362.02907 174.8
[M]+ 341.05385 180.4
[M]- 341.05495 180.4
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.