CID 159459

N-[5-(tert-butylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide

Structural Information

Molecular Formula
C8H14N4O3S2
SMILES
CC(=O)NC1=NN=C(S1)S(=O)(=O)NC(C)(C)C
InChI
InChI=1S/C8H14N4O3S2/c1-5(13)9-6-10-11-7(16-6)17(14,15)12-8(2,3)4/h12H,1-4H3,(H,9,10,13)
InChIKey
XQSQJQIWDZTQCE-UHFFFAOYSA-N
Compound name
N-[5-(tert-butylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

19
Patents

278.05072 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05800 164.1
[M+Na]+ 301.03994 169.6
[M+NH4]+ 296.08454 168.6
[M+K]+ 317.01388 166.0
[M-H]- 277.04344 161.9
[M+Na-2H]- 299.02539 165.3
[M]+ 278.05017 164.7
[M]- 278.05127 164.7
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

patents stripe