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 180.3
[M+Na]+ 359.11886 191.2
[M-H]- 335.12236 188.6
[M+NH4]+ 354.16346 196.7
[M+K]+ 375.09280 183.8
[M+H-H2O]+ 319.12690 173.2
[M+HCOO]- 381.12784 195.8
[M+CH3COO]- 395.14349 191.7
[M+Na-2H]- 357.10431 177.1
[M]+ 336.12909 182.8
[M]- 336.13019 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.