CID 5337685

Nsc5769

Structural Information

Molecular Formula
C11H9N3O5S
SMILES
C1=COC(=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O5S/c15-14(16)9-3-5-11(6-4-9)20(17,18)13-12-8-10-2-1-7-19-10/h1-8,13H/b12-8+
InChIKey
NAOKPVCZGFCKJD-XYOKQWHBSA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

295.0263 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03358 161.3
[M+Na]+ 318.01552 167.6
[M-H]- 294.01902 170.5
[M+NH4]+ 313.06012 176.0
[M+K]+ 333.98946 161.6
[M+H-H2O]+ 278.02356 158.2
[M+HCOO]- 340.02450 185.2
[M+CH3COO]- 354.04015 194.8
[M+Na-2H]- 316.00097 170.4
[M]+ 295.02575 162.9
[M]- 295.02685 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.