CID 52959

73032-72-1

Structural Information

Molecular Formula
C8H13N5O4S2
SMILES
CCCCNC(=O)C(=O)NC1=NN=C(S1)S(=O)(=O)N
InChI
InChI=1S/C8H13N5O4S2/c1-2-3-4-10-5(14)6(15)11-7-12-13-8(18-7)19(9,16)17/h2-4H2,1H3,(H,10,14)(H2,9,16,17)(H,11,12,15)
InChIKey
VQUYDFSRMHEMTA-UHFFFAOYSA-N
Compound name
N-butyl-N'-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0409 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.04818 165.6
[M+Na]+ 330.03012 171.7
[M-H]- 306.03362 165.8
[M+NH4]+ 325.07472 178.6
[M+K]+ 346.00406 167.7
[M+H-H2O]+ 290.03816 158.0
[M+HCOO]- 352.03910 177.6
[M+CH3COO]- 366.05475 202.9
[M+Na-2H]- 328.01557 166.5
[M]+ 307.04035 167.3
[M]- 307.04145 167.3
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.