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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	351.210076	171.5
[M+Na]+	373.192018	170.6
[M-H]-	349.195524	168.4
[M+NH4]+	368.236623	189.2
[M+K]+	389.165958	168.2
[M+H-H2O]+	333.200060	162.8
[M+HCOO]-	395.201001	166.3
[M+CH3COO]-	409.216651	176.5
[M+Na-2H]-	371.177466	174.5
[M]+	350.20225142	169.7
[M]-	350.20334858	169.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.