CID 3070415

86427-41-0

Structural Information

Molecular Formula
C20H20N2OS
SMILES
CC1=CC(=C(C=C1)CN2C(SCC2=O)C3=CNC4=CC=CC=C43)C
InChI
InChI=1S/C20H20N2OS/c1-13-7-8-15(14(2)9-13)11-22-19(23)12-24-20(22)17-10-21-18-6-4-3-5-16(17)18/h3-10,20-21H,11-12H2,1-2H3
InChIKey
CDWNKXZSLWXELA-UHFFFAOYSA-N
Compound name
3-[(2,4-dimethylphenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.12964 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.13692 179.6
[M+Na]+ 359.11886 194.3
[M+NH4]+ 354.16346 188.6
[M+K]+ 375.09280 187.2
[M-H]- 335.12236 185.2
[M+Na-2H]- 357.10431 186.7
[M]+ 336.12909 183.9
[M]- 336.13019 183.9
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.