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 180.7
[M+Na]+ 359.13998 186.6
[M-H]- 335.14348 187.9
[M+NH4]+ 354.18458 195.5
[M+K]+ 375.11392 185.2
[M+H-H2O]+ 319.14802 174.9
[M+HCOO]- 381.14896 194.2
[M+CH3COO]- 395.16461 210.8
[M+Na-2H]- 357.12543 178.4
[M]+ 336.15021 184.8
[M]- 336.15131 184.8
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.