CID 44563094

Chembl502385

Structural Information

Molecular Formula
C15H13Cl2NO2S
SMILES
C1CSC(N(C1=O)CC2=CC=CO2)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C15H13Cl2NO2S/c16-11-4-1-5-12(17)14(11)15-18(13(19)6-8-21-15)9-10-3-2-7-20-10/h1-5,7,15H,6,8-9H2
InChIKey
DSELIJRCRNKWIU-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

341.0044 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.01168 175.5
[M+Na]+ 363.99362 185.2
[M-H]- 339.99712 184.3
[M+NH4]+ 359.03822 190.2
[M+K]+ 379.96756 179.6
[M+H-H2O]+ 324.00166 169.1
[M+HCOO]- 386.00260 181.3
[M+CH3COO]- 400.01825 186.6
[M+Na-2H]- 361.97907 173.3
[M]+ 341.00385 179.2
[M]- 341.00495 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.