CID 211718

23522-45-4

Structural Information

Molecular Formula
C13H15NOS2
SMILES
CCCC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)C
InChI
InChI=1S/C13H15NOS2/c1-3-4-11-12(15)14(13(16)17-11)10-7-5-9(2)6-8-10/h5-8,11H,3-4H2,1-2H3
InChIKey
NDUYLFHBELLXTJ-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0595 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06678 160.3
[M+Na]+ 288.04872 172.1
[M+NH4]+ 283.09332 169.3
[M+K]+ 304.02266 162.7
[M-H]- 264.05222 163.8
[M+Na-2H]- 286.03417 164.6
[M]+ 265.05895 163.9
[M]- 265.06005 163.9
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.