CID 468220

Chembl292028

Structural Information

Molecular Formula
C11H10ClN3O2S
SMILES
CN(C)C(=O)OC1=NSN=C1C2=CC=CC=C2Cl
InChI
InChI=1S/C11H10ClN3O2S/c1-15(2)11(16)17-10-9(13-18-14-10)7-5-3-4-6-8(7)12/h3-6H,1-2H3
InChIKey
HIBJOZRCQRZAPY-UHFFFAOYSA-N
Compound name
[4-(2-chlorophenyl)-1,2,5-thiadiazol-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

283.01822 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02550 159.6
[M+Na]+ 306.00744 169.7
[M-H]- 282.01094 166.3
[M+NH4]+ 301.05204 176.7
[M+K]+ 321.98138 166.3
[M+H-H2O]+ 266.01548 152.2
[M+HCOO]- 328.01642 174.7
[M+CH3COO]- 342.03207 199.0
[M+Na-2H]- 303.99289 160.6
[M]+ 283.01767 166.5
[M]- 283.01877 166.5
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.