CID 477307

[4-(5-amino-2-chloro-phenyl)-1,2,5-thiadiazol-3-yl] n,n-dimethylcarbamate

Structural Information

Molecular Formula
C11H11ClN4O2S
SMILES
CN(C)C(=O)OC1=NSN=C1C2=C(C=CC(=C2)N)Cl
InChI
InChI=1S/C11H11ClN4O2S/c1-16(2)11(17)18-10-9(14-19-15-10)7-5-6(13)3-4-8(7)12/h3-5H,13H2,1-2H3
InChIKey
PKHJCENSOBBYLB-UHFFFAOYSA-N
Compound name
[4-(5-amino-2-chlorophenyl)-1,2,5-thiadiazol-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0291 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.03638 164.1
[M+Na]+ 321.01832 173.9
[M-H]- 297.02182 170.5
[M+NH4]+ 316.06292 180.1
[M+K]+ 336.99226 170.1
[M+H-H2O]+ 281.02636 156.6
[M+HCOO]- 343.02730 179.4
[M+CH3COO]- 357.04295 204.6
[M+Na-2H]- 319.00377 164.1
[M]+ 298.02855 169.6
[M]- 298.02965 169.6
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.