CID 9588314

Brn 4502714

Structural Information

Molecular Formula
C12H12N2O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)/C(=N\O)/N
InChI
InChI=1S/C12H12N2O5S/c1-18-8-2-4-9(5-3-8)20(16,17)11-7-6-10(19-11)12(13)14-15/h2-7,15H,1H3,(H2,13,14)
InChIKey
FHQKBQQPAWPDHT-UHFFFAOYSA-N
Compound name
N'-hydroxy-5-(4-methoxyphenyl)sulfonylfuran-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0467 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.05398 164.6
[M+Na]+ 319.03592 173.4
[M+NH4]+ 314.08052 170.1
[M+K]+ 335.00986 170.6
[M-H]- 295.03942 167.5
[M+Na-2H]- 317.02137 169.1
[M]+ 296.04615 166.8
[M]- 296.04725 166.8
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.