CID 477309

Schembl8401120

Structural Information

Molecular Formula
C11H10Cl2N4O2S
SMILES
CN(C)C(=O)OC1=NSN=C1C2=C(C=CC(=C2Cl)N)Cl
InChI
InChI=1S/C11H10Cl2N4O2S/c1-17(2)11(18)19-10-9(15-20-16-10)7-5(12)3-4-6(14)8(7)13/h3-4H,14H2,1-2H3
InChIKey
WOBLYNXBRSRAEE-UHFFFAOYSA-N
Compound name
[4-(3-amino-2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

331.99014 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.99742 170.0
[M+Na]+ 354.97936 180.7
[M-H]- 330.98286 176.1
[M+NH4]+ 350.02396 185.3
[M+K]+ 370.95330 175.9
[M+H-H2O]+ 314.98740 163.5
[M+HCOO]- 376.98834 180.2
[M+CH3COO]- 391.00399 210.0
[M+Na-2H]- 352.96481 168.6
[M]+ 331.98959 176.8
[M]- 331.99069 176.8
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

patents stripe