CID 16728762

Chembl241885

Structural Information

Molecular Formula
C20H32N2OS
SMILES
C1CCN(CC1)CCN2C(SCC2=O)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C20H32N2OS/c23-18-14-24-19(22(18)7-6-21-4-2-1-3-5-21)20-11-15-8-16(12-20)10-17(9-15)13-20/h15-17,19H,1-14H2
InChIKey
CESNWDLEXHYWHC-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.22354 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23082 175.3
[M+Na]+ 371.21276 173.8
[M-H]- 347.21626 171.4
[M+NH4]+ 366.25736 194.2
[M+K]+ 387.18670 169.5
[M+H-H2O]+ 331.22080 166.2
[M+HCOO]- 393.22174 170.3
[M+CH3COO]- 407.23739 179.7
[M+Na-2H]- 369.19821 177.0
[M]+ 348.22299 171.8
[M]- 348.22409 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.