CID 468329

Rd5-2132

Structural Information

Molecular Formula
C14H14Cl2N4O3S
SMILES
CCCN(C)C(=O)OC1=NSN=C1C2=C(C=CC(=C2Cl)C(=O)N)Cl
InChI
InChI=1S/C14H14Cl2N4O3S/c1-3-6-20(2)14(22)23-13-11(18-24-19-13)9-8(15)5-4-7(10(9)16)12(17)21/h4-5H,3,6H2,1-2H3,(H2,17,21)
InChIKey
GOGOSHGLSXHLSN-UHFFFAOYSA-N
Compound name
[4-(3-carbamoyl-2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N-methyl-N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.01636 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.02364 184.3
[M+Na]+ 411.00558 193.3
[M-H]- 387.00908 190.1
[M+NH4]+ 406.05018 197.1
[M+K]+ 426.97952 188.6
[M+H-H2O]+ 371.01362 177.4
[M+HCOO]- 433.01456 193.0
[M+CH3COO]- 447.03021 220.8
[M+Na-2H]- 408.99103 180.9
[M]+ 388.01581 192.4
[M]- 388.01691 192.4
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.