CID 375561

Nsc655349

Structural Information

Molecular Formula
C18H16N2O2S
SMILES
COC1=CC=CC(=C1)N2C(SCC2=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H16N2O2S/c1-22-13-6-4-5-12(9-13)20-17(21)11-23-18(20)15-10-19-16-8-3-2-7-14(15)16/h2-10,18-19H,11H2,1H3
InChIKey
GZYJMFQJMTXZEY-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09326 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10054 174.4
[M+Na]+ 347.08248 185.1
[M-H]- 323.08598 182.8
[M+NH4]+ 342.12708 190.9
[M+K]+ 363.05642 178.9
[M+H-H2O]+ 307.09052 167.4
[M+HCOO]- 369.09146 190.9
[M+CH3COO]- 383.10711 186.2
[M+Na-2H]- 345.06793 173.2
[M]+ 324.09271 177.3
[M]- 324.09381 177.3
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.