CID 473150

Oprea1_081774

Structural Information

Molecular Formula
C19H21NO2S
SMILES
CC1=CC(=C(C=C1N2C(SCC2=O)C3=CC=CC=C3)C(C)C)O
InChI
InChI=1S/C19H21NO2S/c1-12(2)15-10-16(13(3)9-17(15)21)20-18(22)11-23-19(20)14-7-5-4-6-8-14/h4-10,12,19,21H,11H2,1-3H3
InChIKey
CBUPKSIYARXQIJ-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1293 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13658 177.0
[M+Na]+ 350.11852 185.1
[M-H]- 326.12202 184.9
[M+NH4]+ 345.16312 191.9
[M+K]+ 366.09246 179.4
[M+H-H2O]+ 310.12656 169.6
[M+HCOO]- 372.12750 190.9
[M+CH3COO]- 386.14315 207.1
[M+Na-2H]- 348.10397 172.7
[M]+ 327.12875 178.0
[M]- 327.12985 178.0
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.