CID 16728761

Chembl394544

Structural Information

Molecular Formula
C19H32N2OS
SMILES
CCN(CC)CCN1C(SCC1=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H32N2OS/c1-3-20(4-2)5-6-21-17(22)13-23-18(21)19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16,18H,3-13H2,1-2H3
InChIKey
DUSDUPPQEQQINI-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-3-[2-(diethylamino)ethyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.22354 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23082 177.7
[M+Na]+ 359.21276 177.3
[M-H]- 335.21626 174.0
[M+NH4]+ 354.25736 199.5
[M+K]+ 375.18670 174.4
[M+H-H2O]+ 319.22080 170.9
[M+HCOO]- 381.22174 177.9
[M+CH3COO]- 395.23739 183.6
[M+Na-2H]- 357.19821 181.1
[M]+ 336.22299 180.4
[M]- 336.22409 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

literature stripe

Patent stripe

No patent data available for this compound.