CID 5981666

3455-70-7

Structural Information

Molecular Formula
C9H10N4O4
SMILES
C/C(=N\NC(=O)N)/C=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O4/c1-6(11-12-9(10)14)2-3-7-4-5-8(17-7)13(15)16/h2-5H,1H3,(H3,10,12,14)/b3-2+,11-6+
InChIKey
CINUUHOYDXCJFA-PDGXAJGZSA-N
Compound name
[(E)-[(E)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0702 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.077476 151.0
[M+Na]+ 261.059418 155.7
[M-H]- 237.062924 156.1
[M+NH4]+ 256.104023 167.1
[M+K]+ 277.033358 151.6
[M+H-H2O]+ 221.067460 148.1
[M+HCOO]- 283.068401 179.0
[M+CH3COO]- 297.084051 191.2
[M+Na-2H]- 259.044866 156.6
[M]+ 238.06965142 148.6
[M]- 238.07074858 148.6
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.