CID 99773

23538-08-1

Structural Information

Molecular Formula
C11H11NOS2
SMILES
CC(C1=CC=CC=C1)N2C(=O)CSC2=S
InChI
InChI=1S/C11H11NOS2/c1-8(9-5-3-2-4-6-9)12-10(13)7-15-11(12)14/h2-6,8H,7H2,1H3
InChIKey
KQSHNYSKESUNOZ-UHFFFAOYSA-N
Compound name
3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.02821 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03549 150.6
[M+Na]+ 260.01743 161.8
[M+NH4]+ 255.06203 159.8
[M+K]+ 275.99137 153.3
[M-H]- 236.02093 153.9
[M+Na-2H]- 258.00288 155.6
[M]+ 237.02766 154.0
[M]- 237.02876 154.0
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.