CID 3070416

86427-43-2

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
COC1=CC=C(C=C1)CN2C(SCC2=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C19H18N2O2S/c1-23-14-8-6-13(7-9-14)11-21-18(22)12-24-19(21)16-10-20-17-5-3-2-4-15(16)17/h2-10,19-20H,11-12H2,1H3
InChIKey
UKPKEFRNADSZPZ-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1089 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 178.7
[M+Na]+ 361.09812 188.9
[M-H]- 337.10162 186.9
[M+NH4]+ 356.14272 194.6
[M+K]+ 377.07206 182.5
[M+H-H2O]+ 321.10616 171.5
[M+HCOO]- 383.10710 194.8
[M+CH3COO]- 397.12275 190.1
[M+Na-2H]- 359.08357 177.0
[M]+ 338.10835 181.9
[M]- 338.10945 181.9
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.