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

literature stripe

Patent stripe

patents stripe