CID 39870117

5-(piperazine-1-sulfonyl)furan-2-carboxamide

Structural Information

Molecular Formula
C9H13N3O4S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC=C(O2)C(=O)N
InChI
InChI=1S/C9H13N3O4S/c10-9(13)7-1-2-8(16-7)17(14,15)12-5-3-11-4-6-12/h1-2,11H,3-6H2,(H2,10,13)
InChIKey
OXIAPQGSCKWZLP-UHFFFAOYSA-N
Compound name
5-piperazin-1-ylsulfonylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.06268 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.069956 154.9
[M+Na]+ 282.051898 161.0
[M-H]- 258.055404 157.7
[M+NH4]+ 277.096503 168.2
[M+K]+ 298.025838 159.0
[M+H-H2O]+ 242.059940 148.1
[M+HCOO]- 304.060881 166.7
[M+CH3COO]- 318.076531 187.6
[M+Na-2H]- 280.037346 156.4
[M]+ 259.06213142 152.0
[M]- 259.06322858 152.0
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.