CID 16728765

Chembl427864

Structural Information

Molecular Formula
C20H34N2OS
SMILES
CCN(CC)CCCN1C(SCC1=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C20H34N2OS/c1-3-21(4-2)6-5-7-22-18(23)14-24-19(22)20-11-15-8-16(12-20)10-17(9-15)13-20/h15-17,19H,3-14H2,1-2H3
InChIKey
DYMVOTRZSWBAMA-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.2392 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.24648 181.9
[M+Na]+ 373.22842 181.1
[M-H]- 349.23192 178.0
[M+NH4]+ 368.27302 203.1
[M+K]+ 389.20236 177.9
[M+H-H2O]+ 333.23646 174.9
[M+HCOO]- 395.23740 181.7
[M+CH3COO]- 409.25305 187.4
[M+Na-2H]- 371.21387 184.8
[M]+ 350.23865 184.9
[M]- 350.23975 184.9
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.