CID 473168

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

Structural Information

Molecular Formula
C20H22ClNO2S
SMILES
CC1C(=O)N(C(S1)C2=CC=CC=C2Cl)C3=CC(=C(C=C3C)O)C(C)C
InChI
InChI=1S/C20H22ClNO2S/c1-11(2)15-10-17(12(3)9-18(15)23)22-19(24)13(4)25-20(22)14-7-5-6-8-16(14)21/h5-11,13,20,23H,1-4H3
InChIKey
GANHPSWGQZEUJZ-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.106 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.11328 187.3
[M+Na]+ 398.09522 197.2
[M-H]- 374.09872 195.6
[M+NH4]+ 393.13982 201.7
[M+K]+ 414.06916 190.0
[M+H-H2O]+ 358.10326 180.9
[M+HCOO]- 420.10420 196.2
[M+CH3COO]- 434.11985 216.1
[M+Na-2H]- 396.08067 180.9
[M]+ 375.10545 191.6
[M]- 375.10655 191.6
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.