CID 9570857

Brn 0684088

Structural Information

Molecular Formula
C9H8N4O5
SMILES
C1CN(C(=O)N1)/N=C/C(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H8N4O5/c14-6(5-11-12-4-3-10-9(12)15)7-1-2-8(18-7)13(16)17/h1-2,5H,3-4H2,(H,10,15)/b11-5+
InChIKey
FWCHABIGPABAII-VZUCSPMQSA-N
Compound name
1-[(E)-[2-(5-nitrofuran-2-yl)-2-oxoethylidene]amino]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.04947 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.05675 151.4
[M+Na]+ 275.03869 157.0
[M-H]- 251.04219 156.6
[M+NH4]+ 270.08329 166.0
[M+K]+ 291.01263 152.5
[M+H-H2O]+ 235.04673 148.2
[M+HCOO]- 297.04767 174.6
[M+CH3COO]- 311.06332 185.5
[M+Na-2H]- 273.02414 156.4
[M]+ 252.04892 148.7
[M]- 252.05002 148.7
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.