CID 6536920

90000-62-7

Structural Information

Molecular Formula
C7H8N4O5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C(=N\NC(=O)N)/CO
InChI
InChI=1S/C7H8N4O5/c8-7(13)10-9-4(3-12)5-1-2-6(16-5)11(14)15/h1-2,12H,3H2,(H3,8,10,13)/b9-4-
InChIKey
WQKNUJXZXQMAKZ-WTKPLQERSA-N
Compound name
[(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04947 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05675 146.3
[M+Na]+ 251.03869 152.6
[M+NH4]+ 246.08329 150.8
[M+K]+ 267.01263 155.8
[M-H]- 227.04219 148.5
[M+Na-2H]- 249.02414 147.9
[M]+ 228.04892 146.9
[M]- 228.05002 146.9
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.