CID 49768035

3-cyclohexyl-2-(2,6-dichlorophenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C15H17Cl2NOS
SMILES
C1CCC(CC1)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C15H17Cl2NOS/c16-11-7-4-8-12(17)14(11)15-18(13(19)9-20-15)10-5-2-1-3-6-10/h4,7-8,10,15H,1-3,5-6,9H2
InChIKey
QAVYGHIPSIDGJV-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.0408 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.04808 175.2
[M+Na]+ 352.03002 182.9
[M-H]- 328.03352 182.6
[M+NH4]+ 347.07462 191.6
[M+K]+ 368.00396 176.1
[M+H-H2O]+ 312.03806 168.8
[M+HCOO]- 374.03900 178.8
[M+CH3COO]- 388.05465 185.2
[M+Na-2H]- 350.01547 170.5
[M]+ 329.04025 174.2
[M]- 329.04135 174.2
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.