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]+ 298.12602 169.1
[M+Na]+ 320.10796 178.8
[M-H]- 296.11146 178.5
[M+NH4]+ 315.15256 186.2
[M+K]+ 336.08190 173.0
[M+H-H2O]+ 280.11600 161.6
[M+HCOO]- 342.11694 185.8
[M+CH3COO]- 356.13259 181.3
[M+Na-2H]- 318.09341 166.4
[M]+ 297.11819 170.7
[M]- 297.11929 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.