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 160.5
[M+Na]+ 318.01552 166.6
[M-H]- 294.01902 168.1
[M+NH4]+ 313.06012 174.2
[M+K]+ 333.98946 160.0
[M+H-H2O]+ 278.02356 158.0
[M+HCOO]- 340.02450 181.2
[M+CH3COO]- 354.04015 194.2
[M+Na-2H]- 316.00097 166.8
[M]+ 295.02575 159.2
[M]- 295.02685 159.2
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.