CID 463219

Chembl60314

Structural Information

Molecular Formula
C13H13Cl2N3O2S
SMILES
CCCN(C)C(=O)OC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C13H13Cl2N3O2S/c1-3-7-18(2)13(19)20-12-11(16-21-17-12)10-8(14)5-4-6-9(10)15/h4-6H,3,7H2,1-2H3
InChIKey
JPXHDJHUEXAQRF-UHFFFAOYSA-N
Compound name
[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N-methyl-N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

345.01056 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.01784 173.9
[M+Na]+ 367.99978 183.9
[M-H]- 344.00328 179.8
[M+NH4]+ 363.04438 189.1
[M+K]+ 383.97372 179.1
[M+H-H2O]+ 328.00782 166.8
[M+HCOO]- 390.00876 183.0
[M+CH3COO]- 404.02441 210.2
[M+Na-2H]- 365.98523 172.5
[M]+ 345.01001 182.6
[M]- 345.01111 182.6
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.