CID 205995

Win 2661

Structural Information

Molecular Formula
C17H24N2O3S
SMILES
CC(C)CNCCCN1C(SCC1=O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H24N2O3S/c1-12(2)9-18-6-3-7-19-16(20)10-23-17(19)13-4-5-14-15(8-13)22-11-21-14/h4-5,8,12,17-18H,3,6-7,9-11H2,1-2H3
InChIKey
RXYIMSFMOZTKCU-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-3-[3-(2-methylpropylamino)propyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.15076 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15804 179.8
[M+Na]+ 359.13998 188.3
[M+NH4]+ 354.18458 187.0
[M+K]+ 375.11392 184.8
[M-H]- 335.14348 184.8
[M+Na-2H]- 357.12543 180.8
[M]+ 336.15021 182.6
[M]- 336.15131 182.6
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.