CID 16728780

Chembl244437

Structural Information

Molecular Formula
C20H26N2OS
SMILES
CC1=CC(=NC(=C1)N2[C@H](SCC2=O)C34CC5CC(C3)CC(C5)C4)C
InChI
InChI=1S/C20H26N2OS/c1-12-3-13(2)21-17(4-12)22-18(23)11-24-19(22)20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16,19H,5-11H2,1-2H3/t14?,15?,16?,19-,20?/m1/s1
InChIKey
QNTZQCFJFOJNPB-JCFBCRGFSA-N
Compound name
(2R)-2-(1-adamantyl)-3-(4,6-dimethylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.17657 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18385 176.1
[M+Na]+ 365.16579 179.3
[M-H]- 341.16929 174.4
[M+NH4]+ 360.21039 196.3
[M+K]+ 381.13973 174.5
[M+H-H2O]+ 325.17383 167.6
[M+HCOO]- 387.17477 175.2
[M+CH3COO]- 401.19042 182.7
[M+Na-2H]- 363.15124 179.4
[M]+ 342.17602 177.6
[M]- 342.17712 177.6
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.