CID 16728763

Chembl242098

Structural Information

Molecular Formula
C19H30N2O2S
SMILES
C1COCCN1CCN2C(SCC2=O)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C19H30N2O2S/c22-17-13-24-18(21(17)2-1-20-3-5-23-6-4-20)19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16,18H,1-13H2
InChIKey
SCKSFDPJFGUTNU-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.2028 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21008 171.5
[M+Na]+ 373.19202 170.6
[M-H]- 349.19552 168.4
[M+NH4]+ 368.23662 189.2
[M+K]+ 389.16596 168.2
[M+H-H2O]+ 333.20006 162.8
[M+HCOO]- 395.20100 166.3
[M+CH3COO]- 409.21665 176.5
[M+Na-2H]- 371.17747 174.5
[M]+ 350.20225 169.7
[M]- 350.20335 169.7
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.