CID 473153

2-(4-chlorophenyl)-3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C19H20ClNO2S
SMILES
CC1=CC(=C(C=C1N2C(SCC2=O)C3=CC=C(C=C3)Cl)C(C)C)O
InChI
InChI=1S/C19H20ClNO2S/c1-11(2)15-9-16(12(3)8-17(15)22)21-18(23)10-24-19(21)13-4-6-14(20)7-5-13/h4-9,11,19,22H,10H2,1-3H3
InChIKey
YWZPMBKNJXGJIT-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-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

361.09033 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09761 183.4
[M+Na]+ 384.07955 192.9
[M-H]- 360.08305 191.5
[M+NH4]+ 379.12415 198.1
[M+K]+ 400.05349 185.9
[M+H-H2O]+ 344.08759 176.9
[M+HCOO]- 406.08853 192.7
[M+CH3COO]- 420.10418 194.1
[M+Na-2H]- 382.06500 178.0
[M]+ 361.08978 187.0
[M]- 361.09088 187.0
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.