CID 16728764

Chembl242099

Structural Information

Molecular Formula
C18H30N2OS
SMILES
CN(C)CCCN1C(SCC1=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H30N2OS/c1-19(2)4-3-5-20-16(21)12-22-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15,17H,3-12H2,1-2H3
InChIKey
QTQAHQDFPDKATH-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.2079 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21518 173.4
[M+Na]+ 345.19712 173.5
[M-H]- 321.20062 169.9
[M+NH4]+ 340.24172 195.8
[M+K]+ 361.17106 170.8
[M+H-H2O]+ 305.20516 166.8
[M+HCOO]- 367.20610 174.0
[M+CH3COO]- 381.22175 179.8
[M+Na-2H]- 343.18257 177.3
[M]+ 322.20735 175.9
[M]- 322.20845 175.9
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.