CID 3067518

Brn 5154227

Structural Information

Molecular Formula
C13H16N4O7S
SMILES
CNC(=O)C(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCO
InChI
InChI=1S/C13H16N4O7S/c1-14-10(19)13(22)17-25(23,24)9-4-2-8(3-5-9)16-12(21)11(20)15-6-7-18/h2-5,18H,6-7H2,1H3,(H,14,19)(H,15,20)(H,16,21)(H,17,22)
InChIKey
RJHLHHONIJQHCT-UHFFFAOYSA-N
Compound name
N'-[4-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]phenyl]sulfonyl-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.07397 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08125 179.6
[M+Na]+ 395.06319 181.6
[M+NH4]+ 390.10779 180.3
[M+K]+ 411.03713 180.9
[M-H]- 371.06669 176.5
[M+Na-2H]- 393.04864 179.8
[M]+ 372.07342 178.3
[M]- 372.07452 178.3
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.