CID 5323714

Furazolidone

Structural Information

Molecular Formula
C8H7N3O5
SMILES
C1COC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+
InChIKey
PLHJDBGFXBMTGZ-WEVVVXLNSA-N
Compound name
3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1401
References

21553
Patents

225.03857 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04585 145.0
[M+Na]+ 248.02779 151.8
[M-H]- 224.03129 153.4
[M+NH4]+ 243.07239 161.7
[M+K]+ 264.00173 149.2
[M+H-H2O]+ 208.03583 143.0
[M+HCOO]- 270.03677 171.1
[M+CH3COO]- 284.05242 182.9
[M+Na-2H]- 246.01324 152.6
[M]+ 225.03802 145.4
[M]- 225.03912 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe