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 179.7
[M+Na]+ 371.13998 184.1
[M-H]- 347.14348 189.3
[M+NH4]+ 366.18458 193.5
[M+K]+ 387.11392 182.1
[M+H-H2O]+ 331.14802 173.4
[M+HCOO]- 393.14896 191.4
[M+CH3COO]- 407.16461 189.4
[M+Na-2H]- 369.12543 177.4
[M]+ 348.15021 178.2
[M]- 348.15131 178.2
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.