CID 473154

2-(2,6-dichlorophenyl)-3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C19H19Cl2NO2S
SMILES
CC1=CC(=C(C=C1N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl)C(C)C)O
InChI
InChI=1S/C19H19Cl2NO2S/c1-10(2)12-8-15(11(3)7-16(12)23)22-17(24)9-25-19(22)18-13(20)5-4-6-14(18)21/h4-8,10,19,23H,9H2,1-3H3
InChIKey
JOANXRBMACCCBL-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.05136 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.05864 188.8
[M+Na]+ 418.04058 199.2
[M-H]- 394.04408 196.6
[M+NH4]+ 413.08518 202.8
[M+K]+ 434.01452 191.5
[M+H-H2O]+ 378.04862 183.1
[M+HCOO]- 440.04956 193.0
[M+CH3COO]- 454.06521 199.0
[M+Na-2H]- 416.02603 182.2
[M]+ 395.05081 193.9
[M]- 395.05191 193.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.