CID 169405

32112-80-4

Structural Information

Molecular Formula
C12H14N2O2S2
SMILES
CCN1C(=O)C(=C2C=CN(C=C2)CCO)SC1=S
InChI
InChI=1S/C12H14N2O2S2/c1-2-14-11(16)10(18-12(14)17)9-3-5-13(6-4-9)7-8-15/h3-6,15H,2,7-8H2,1H3
InChIKey
FCLYDLWAESRMLT-UHFFFAOYSA-N
Compound name
3-ethyl-5-[1-(2-hydroxyethyl)pyridin-4-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.04968 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05696 164.9
[M+Na]+ 305.03890 174.7
[M+NH4]+ 300.08350 171.9
[M+K]+ 321.01284 166.7
[M-H]- 281.04240 166.1
[M+Na-2H]- 303.02435 166.9
[M]+ 282.04913 167.3
[M]- 282.05023 167.3
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.