CID 3067524

Brn 5171958

Structural Information

Molecular Formula
C17H16N4O7S
SMILES
C1=CC=C(C=C1)CNC(=O)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(=O)NO
InChI
InChI=1S/C17H16N4O7S/c22-14(18-10-11-4-2-1-3-5-11)17(25)21-29(27,28)13-8-6-12(7-9-13)19-15(23)16(24)20-26/h1-9,26H,10H2,(H,18,22)(H,19,23)(H,20,24)(H,21,25)
InChIKey
VEOCSMFXAICZFL-UHFFFAOYSA-N
Compound name
N-benzyl-N'-[4-[[2-(hydroxyamino)-2-oxoacetyl]amino]phenyl]sulfonyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.07397 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.08125 190.9
[M+Na]+ 443.06319 192.3
[M-H]- 419.06669 195.2
[M+NH4]+ 438.10779 197.9
[M+K]+ 459.03713 190.2
[M+H-H2O]+ 403.07123 181.6
[M+HCOO]- 465.07217 208.0
[M+CH3COO]- 479.08782 225.5
[M+Na-2H]- 441.04864 194.1
[M]+ 420.07342 190.7
[M]- 420.07452 190.7
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.