CID 463222

[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] n-butylcarbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

345.01056 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.01784 173.9
[M+Na]+ 367.99978 183.8
[M-H]- 344.00328 178.3
[M+NH4]+ 363.04438 188.5
[M+K]+ 383.97372 177.6
[M+H-H2O]+ 328.00782 167.1
[M+HCOO]- 390.00876 182.6
[M+CH3COO]- 404.02441 206.9
[M+Na-2H]- 365.98523 173.1
[M]+ 345.01001 181.3
[M]- 345.01111 181.3
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.