CID 9562728

Nifursemizone

Structural Information

Molecular Formula
C8H10N4O4
SMILES
CCN(C(=O)N)/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C8H10N4O4/c1-2-11(8(9)13)10-5-6-3-4-7(16-6)12(14)15/h3-5H,2H2,1H3,(H2,9,13)/b10-5+
InChIKey
JGPNCLKRECLYTO-BJMVGYQFSA-N
Compound name
1-ethyl-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

226.0702 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.077476 147.1
[M+Na]+ 249.059418 152.4
[M-H]- 225.062924 153.8
[M+NH4]+ 244.104023 164.5
[M+K]+ 265.033358 150.0
[M+H-H2O]+ 209.067460 144.2
[M+HCOO]- 271.068401 176.8
[M+CH3COO]- 285.084051 192.5
[M+Na-2H]- 247.044866 153.8
[M]+ 226.06965142 147.1
[M]- 226.07074858 147.1
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.