CID 205997

Win 2663

Structural Information

Molecular Formula
C18H24N2O3S
SMILES
C1CCC(CC1)NCCN2C(SCC2=O)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C18H24N2O3S/c21-17-11-24-18(13-6-7-15-16(10-13)23-12-22-15)20(17)9-8-19-14-4-2-1-3-5-14/h6-7,10,14,18-19H,1-5,8-9,11-12H2
InChIKey
KJLANIXQHVOAFG-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-3-[2-(cyclohexylamino)ethyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.15076 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15804 180.3
[M+Na]+ 371.13998 189.3
[M+NH4]+ 366.18458 188.6
[M+K]+ 387.11392 185.0
[M-H]- 347.14348 187.8
[M+Na-2H]- 369.12543 183.1
[M]+ 348.15021 183.9
[M]- 348.15131 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.