CID 463221

Chembl64381

Structural Information

Molecular Formula
C16H19Cl2N3O2S
SMILES
CCCCCCN(C)C(=O)OC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C16H19Cl2N3O2S/c1-3-4-5-6-10-21(2)16(22)23-15-14(19-24-20-15)13-11(17)8-7-9-12(13)18/h7-9H,3-6,10H2,1-2H3
InChIKey
WWXZBQGHUGTRNG-UHFFFAOYSA-N
Compound name
[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N-hexyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

387.0575 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06478 187.0
[M+Na]+ 410.04672 195.7
[M-H]- 386.05022 192.4
[M+NH4]+ 405.09132 200.5
[M+K]+ 426.02066 190.2
[M+H-H2O]+ 370.05476 179.3
[M+HCOO]- 432.05570 195.2
[M+CH3COO]- 446.07135 218.7
[M+Na-2H]- 408.03217 184.2
[M]+ 387.05695 196.8
[M]- 387.05805 196.8
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.