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]+ 337.136916 180.3
[M+Na]+ 359.118858 191.2
[M-H]- 335.122364 188.6
[M+NH4]+ 354.163463 196.7
[M+K]+ 375.092798 183.8
[M+H-H2O]+ 319.126900 173.2
[M+HCOO]- 381.127841 195.8
[M+CH3COO]- 395.143491 191.7
[M+Na-2H]- 357.104306 177.1
[M]+ 336.12909142 182.8
[M]- 336.13018858 182.8
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.