CID 473157

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

Structural Information

Molecular Formula
C19H21NO3S
SMILES
CC1=CC(=C(C=C1N2C(SCC2=O)C3=CC=CC=C3O)C(C)C)O
InChI
InChI=1S/C19H21NO3S/c1-11(2)14-9-15(12(3)8-17(14)22)20-18(23)10-24-19(20)13-6-4-5-7-16(13)21/h4-9,11,19,21-22H,10H2,1-3H3
InChIKey
BTBFIKIZBVQDFJ-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1242 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13148 180.1
[M+Na]+ 366.11342 188.2
[M-H]- 342.11692 186.9
[M+NH4]+ 361.15802 193.8
[M+K]+ 382.08736 182.5
[M+H-H2O]+ 326.12146 173.2
[M+HCOO]- 388.12240 192.7
[M+CH3COO]- 402.13805 208.3
[M+Na-2H]- 364.09887 175.1
[M]+ 343.12365 181.2
[M]- 343.12475 181.2
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.