CID 210686

21494-68-8

Structural Information

Molecular Formula
C11H11NOS2
SMILES
CC1C(=O)N(C(=S)S1)CC2=CC=CC=C2
InChI
InChI=1S/C11H11NOS2/c1-8-10(13)12(11(14)15-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey
ZOMAEZIFFMSAHO-UHFFFAOYSA-N
Compound name
3-benzyl-5-methyl-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 151.4
[M+Na]+ 260.01743 163.3
[M+NH4]+ 255.06203 160.7
[M+K]+ 275.99137 154.1
[M-H]- 236.02093 155.0
[M+Na-2H]- 258.00288 156.3
[M]+ 237.02766 155.0
[M]- 237.02876 155.0
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.