CID 211737

23538-11-6

Structural Information

Molecular Formula
C14H17NOS2
SMILES
CCCC1C(=O)N(C(=S)S1)C(C)C2=CC=CC=C2
InChI
InChI=1S/C14H17NOS2/c1-3-7-12-13(16)15(14(17)18-12)10(2)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3
InChIKey
RXOSSJBIFFUFCZ-UHFFFAOYSA-N
Compound name
3-(1-phenylethyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.07516 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08244 163.6
[M+Na]+ 302.06438 174.4
[M+NH4]+ 297.10898 172.2
[M+K]+ 318.03832 165.5
[M-H]- 278.06788 166.8
[M+Na-2H]- 300.04983 167.6
[M]+ 279.07461 166.9
[M]- 279.07571 166.9
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.