CID 200417

2044-91-9

Structural Information

Molecular Formula
C11H11NOS2
SMILES
CC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)C
InChI
InChI=1S/C11H11NOS2/c1-7-3-5-9(6-4-7)12-10(13)8(2)15-11(12)14/h3-6,8H,1-2H3
InChIKey
JPTVQZSYOCWMFU-UHFFFAOYSA-N
Compound name
5-methyl-3-(4-methylphenyl)-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

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03549 148.8
[M+Na]+ 260.01743 159.6
[M-H]- 236.02093 155.0
[M+NH4]+ 255.06203 168.6
[M+K]+ 275.99137 154.2
[M+H-H2O]+ 220.02547 143.3
[M+HCOO]- 282.02641 160.8
[M+CH3COO]- 296.04206 189.6
[M+Na-2H]- 258.00288 146.0
[M]+ 237.02766 150.4
[M]- 237.02876 150.4
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.