CID 52957

74186-49-5

Structural Information

Molecular Formula
C7H11N5O4S2
SMILES
CCCNC(=O)C(=O)NC1=NN=C(S1)S(=O)(=O)N
InChI
InChI=1S/C7H11N5O4S2/c1-2-3-9-4(13)5(14)10-6-11-12-7(17-6)18(8,15)16/h2-3H2,1H3,(H,9,13)(H2,8,15,16)(H,10,11,14)
InChIKey
VEMOEZZTAOEOMB-UHFFFAOYSA-N
Compound name
N-propyl-N'-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.02524 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.03252 162.6
[M+Na]+ 316.01446 166.3
[M+NH4]+ 311.05906 165.9
[M+K]+ 331.98840 163.9
[M-H]- 292.01796 160.2
[M+Na-2H]- 313.99991 162.9
[M]+ 293.02469 162.5
[M]- 293.02579 162.5
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

No patent data available for this compound.