CID 16728760

Chembl395977

Structural Information

Molecular Formula
C17H28N2OS
SMILES
CN(C)CCN1C(SCC1=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H28N2OS/c1-18(2)3-4-19-15(20)11-21-16(19)17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14,16H,3-11H2,1-2H3
InChIKey
XSYDWWJYKHOJOB-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-3-[2-(dimethylamino)ethyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.19223 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19951 169.1
[M+Na]+ 331.18145 169.7
[M-H]- 307.18495 165.9
[M+NH4]+ 326.22605 192.1
[M+K]+ 347.15539 167.2
[M+H-H2O]+ 291.18949 162.7
[M+HCOO]- 353.19043 170.0
[M+CH3COO]- 367.20608 176.0
[M+Na-2H]- 329.16690 173.5
[M]+ 308.19168 171.3
[M]- 308.19278 171.3
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.