CID 6475266

3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-[(e)-styryl]thiazolidin-4-one

Structural Information

Molecular Formula
C21H23NO2S
SMILES
CC1=CC(=C(C=C1N2C(SCC2=O)/C=C/C3=CC=CC=C3)C(C)C)O
InChI
InChI=1S/C21H23NO2S/c1-14(2)17-12-18(15(3)11-19(17)23)22-20(24)13-25-21(22)10-9-16-7-5-4-6-8-16/h4-12,14,21,23H,13H2,1-3H3/b10-9+
InChIKey
KCEQIRUHXDHJND-MDZDMXLPSA-N
Compound name
3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.14496 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15224 185.3
[M+Na]+ 376.13418 192.8
[M-H]- 352.13768 192.8
[M+NH4]+ 371.17878 199.1
[M+K]+ 392.10812 186.1
[M+H-H2O]+ 336.14222 177.6
[M+HCOO]- 398.14316 198.7
[M+CH3COO]- 412.15881 211.6
[M+Na-2H]- 374.11963 180.0
[M]+ 353.14441 186.2
[M]- 353.14551 186.2
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.