CID 211736

23538-10-5

Structural Information

Molecular Formula
C13H15NOS2
SMILES
CCC1C(=O)N(C(=S)S1)C(C)C2=CC=CC=C2
InChI
InChI=1S/C13H15NOS2/c1-3-11-12(15)14(13(16)17-11)9(2)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3
InChIKey
ZFHWEHVYFFJLBE-UHFFFAOYSA-N
Compound name
5-ethyl-3-(1-phenylethyl)-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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06678 159.5
[M+Na]+ 288.04872 170.5
[M+NH4]+ 283.09332 168.3
[M+K]+ 304.02266 161.8
[M-H]- 264.05222 162.7
[M+Na-2H]- 286.03417 163.7
[M]+ 265.05895 162.8
[M]- 265.06005 162.8
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.