CID 463220

Chembl62905

Structural Information

Molecular Formula
C14H15Cl2N3O2S
SMILES
CCCCN(C)C(=O)OC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C14H15Cl2N3O2S/c1-3-4-8-19(2)14(20)21-13-12(17-22-18-13)11-9(15)6-5-7-10(11)16/h5-7H,3-4,8H2,1-2H3
InChIKey
SIMFRELFPMFAIL-UHFFFAOYSA-N
Compound name
[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N-butyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

359.0262 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.03348 178.3
[M+Na]+ 382.01542 187.8
[M-H]- 358.01892 184.0
[M+NH4]+ 377.06002 192.9
[M+K]+ 397.98936 182.8
[M+H-H2O]+ 342.02346 171.0
[M+HCOO]- 404.02440 187.1
[M+CH3COO]- 418.04005 213.0
[M+Na-2H]- 380.00087 176.4
[M]+ 359.02565 187.4
[M]- 359.02675 187.4
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.