CID 16728767

Chembl245070

Structural Information

Molecular Formula
C19H22ClNOS
SMILES
C1C2CC3CC1CC(C2)(C3)C4N(C(=O)CS4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C19H22ClNOS/c20-15-1-3-16(4-2-15)21-17(22)11-23-18(21)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,18H,5-11H2
InChIKey
NUPUBLNTOSNBAJ-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.11105 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.11833 175.1
[M+Na]+ 370.10027 178.8
[M-H]- 346.10377 174.7
[M+NH4]+ 365.14487 197.1
[M+K]+ 386.07421 173.1
[M+H-H2O]+ 330.10831 168.2
[M+HCOO]- 392.10925 171.7
[M+CH3COO]- 406.12490 182.2
[M+Na-2H]- 368.08572 179.1
[M]+ 347.11050 177.6
[M]- 347.11160 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.