CID 3058876

2-furancarboximidamide, 5-((4-nitrophenyl)sulfonyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H9N3O5S
SMILES
C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(O2)C(=N)N
InChI
InChI=1S/C11H9N3O5S/c12-11(13)9-5-6-10(19-9)20(17,18)8-3-1-7(2-4-8)14(15)16/h1-6H,(H3,12,13)
InChIKey
LZLGBIQDEHLQDL-UHFFFAOYSA-N
Compound name
5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0263 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03358 158.9
[M+Na]+ 318.01552 168.2
[M+NH4]+ 313.06012 164.4
[M+K]+ 333.98946 168.3
[M-H]- 294.01902 163.1
[M+Na-2H]- 316.00097 163.7
[M]+ 295.02575 161.4
[M]- 295.02685 161.4
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.