CID 5910161

Nifuratrone

Structural Information

Molecular Formula
C7H8N2O5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=[N+](/CCO)\[O-]
InChI
InChI=1S/C7H8N2O5/c10-4-3-8(11)5-6-1-2-7(14-6)9(12)13/h1-2,5,10H,3-4H2/b8-5-
InChIKey
QSWZUVFMUIEHAG-YVMONPNESA-N
Compound name
N-(2-hydroxyethyl)-1-(5-nitrofuran-2-yl)methanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1279
Patents

200.04332 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05060 143.8
[M+Na]+ 223.03254 149.5
[M-H]- 199.03604 146.8
[M+NH4]+ 218.07714 160.3
[M+K]+ 239.00648 140.8
[M+H-H2O]+ 183.04058 147.1
[M+HCOO]- 245.04152 168.7
[M+CH3COO]- 259.05717 169.4
[M+Na-2H]- 221.01799 152.6
[M]+ 200.04277 141.1
[M]- 200.04387 141.1
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