CID 118625

4-thiazolidinone, 3-ethyl-5-(1-piperidinylmethylene)-2-thioxo-

Structural Information

Molecular Formula
C11H16N2OS2
SMILES
CCN1C(=O)C(=CN2CCCCC2)SC1=S
InChI
InChI=1S/C11H16N2OS2/c1-2-13-10(14)9(16-11(13)15)8-12-6-4-3-5-7-12/h8H,2-7H2,1H3
InChIKey
MIOJSHGZYGNCOI-UHFFFAOYSA-N
Compound name
3-ethyl-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.0704 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07768 159.1
[M+Na]+ 279.05962 168.1
[M+NH4]+ 274.10422 167.1
[M+K]+ 295.03356 159.6
[M-H]- 255.06312 160.9
[M+Na-2H]- 277.04507 160.9
[M]+ 256.06985 161.5
[M]- 256.07095 161.5
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

patents stripe