CID 211709

23522-18-1

Structural Information

Molecular Formula
C12H13NOS2
SMILES
CC1C(=O)N(C(=S)S1)CCC2=CC=CC=C2
InChI
InChI=1S/C12H13NOS2/c1-9-11(14)13(12(15)16-9)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKey
BSPMWDAFVFMVPU-UHFFFAOYSA-N
Compound name
5-methyl-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.04385 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05113 155.5
[M+Na]+ 274.03307 167.2
[M+NH4]+ 269.07767 164.6
[M+K]+ 290.00701 157.8
[M-H]- 250.03657 159.0
[M+Na-2H]- 272.01852 160.3
[M]+ 251.04330 159.1
[M]- 251.04440 159.1
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.