CID 473167

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

Structural Information

Molecular Formula
C20H23NO2S
SMILES
CC1C(=O)N(C(S1)C2=CC=CC=C2)C3=CC(=C(C=C3C)O)C(C)C
InChI
InChI=1S/C20H23NO2S/c1-12(2)16-11-17(13(3)10-18(16)22)21-19(23)14(4)24-20(21)15-8-6-5-7-9-15/h5-12,14,20,22H,1-4H3
InChIKey
BYFGCANFKYLLML-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.14496 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15224 180.9
[M+Na]+ 364.13418 189.4
[M-H]- 340.13768 189.0
[M+NH4]+ 359.17878 195.5
[M+K]+ 380.10812 183.5
[M+H-H2O]+ 324.14222 173.6
[M+HCOO]- 386.14316 194.5
[M+CH3COO]- 400.15881 211.3
[M+Na-2H]- 362.11963 175.5
[M]+ 341.14441 182.7
[M]- 341.14551 182.7
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.