CID 3065731

Ethanediamide, n-((2-amino-6-benzothiazolyl)sulfonyl)-n'-methyl-

Structural Information

Molecular Formula
C10H10N4O4S2
SMILES
CNC(=O)C(=O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N
InChI
InChI=1S/C10H10N4O4S2/c1-12-8(15)9(16)14-20(17,18)5-2-3-6-7(4-5)19-10(11)13-6/h2-4H,1H3,(H2,11,13)(H,12,15)(H,14,16)
InChIKey
XVLUVLSHEKXHLJ-UHFFFAOYSA-N
Compound name
N'-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.01434 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.02162 165.8
[M+Na]+ 337.00356 174.3
[M-H]- 313.00706 168.9
[M+NH4]+ 332.04816 181.2
[M+K]+ 352.97750 169.8
[M+H-H2O]+ 297.01160 159.6
[M+HCOO]- 359.01254 179.8
[M+CH3COO]- 373.02819 204.7
[M+Na-2H]- 334.98901 170.0
[M]+ 314.01379 169.1
[M]- 314.01489 169.1
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.