CID 463218

Chembl62238

Structural Information

Molecular Formula
C11H9Cl2N3O2S
SMILES
CN(C)C(=O)OC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C11H9Cl2N3O2S/c1-16(2)11(17)18-10-9(14-19-15-10)8-6(12)4-3-5-7(8)13/h3-5H,1-2H3
InChIKey
JITQBXSEYVBWBW-UHFFFAOYSA-N
Compound name
[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

316.97925 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.98653 165.0
[M+Na]+ 339.96847 175.9
[M-H]- 315.97197 171.3
[M+NH4]+ 335.01307 181.3
[M+K]+ 355.94241 171.6
[M+H-H2O]+ 299.97651 158.4
[M+HCOO]- 361.97745 174.8
[M+CH3COO]- 375.99310 204.4
[M+Na-2H]- 337.95392 164.6
[M]+ 316.97870 173.1
[M]- 316.97980 173.1
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.