CID 118280394

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)hex-5-ynamide

Structural Information

Molecular Formula
C8H10N4O3S2
SMILES
C#CCCCC(=O)NC1=NN=C(S1)S(=O)(=O)N
InChI
InChI=1S/C8H10N4O3S2/c1-2-3-4-5-6(13)10-7-11-12-8(16-7)17(9,14)15/h1H,3-5H2,(H2,9,14,15)(H,10,11,13)
InChIKey
BYSCAOCFAHVCOL-UHFFFAOYSA-N
Compound name
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)hex-5-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

274.01944 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02672 168.2
[M+Na]+ 297.00866 177.3
[M-H]- 273.01216 167.8
[M+NH4]+ 292.05326 181.2
[M+K]+ 312.98260 174.2
[M+H-H2O]+ 257.01670 154.9
[M+HCOO]- 319.01764 174.7
[M+CH3COO]- 333.03329 201.7
[M+Na-2H]- 294.99411 167.0
[M]+ 274.01889 164.5
[M]- 274.01999 164.5
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