CID 513666

2-(2,6-dimethylphenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C18H19NOS
SMILES
CC1=CC(=CC=C1)N2C(SCC2=O)C3=C(C=CC=C3C)C
InChI
InChI=1S/C18H19NOS/c1-12-6-4-9-15(10-12)19-16(20)11-21-18(19)17-13(2)7-5-8-14(17)3/h4-10,18H,11H2,1-3H3
InChIKey
SCXFKAVTBJNKIK-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.11874 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.126016 169.1
[M+Na]+ 320.107958 178.8
[M-H]- 296.111464 178.5
[M+NH4]+ 315.152563 186.2
[M+K]+ 336.081898 173.0
[M+H-H2O]+ 280.116000 161.6
[M+HCOO]- 342.116941 185.8
[M+CH3COO]- 356.132591 181.3
[M+Na-2H]- 318.093406 166.4
[M]+ 297.11819142 170.7
[M]- 297.11928858 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.