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 163.8
[M+Na]+ 319.03592 171.7
[M-H]- 295.03942 171.7
[M+NH4]+ 314.08052 179.0
[M+K]+ 335.00986 170.1
[M+H-H2O]+ 279.04396 157.1
[M+HCOO]- 341.04490 184.0
[M+CH3COO]- 355.06055 200.4
[M+Na-2H]- 317.02137 167.4
[M]+ 296.04615 167.9
[M]- 296.04725 167.9
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.