CID 205365

N-(5-nitro-2-furoyl)urea

Structural Information

Molecular Formula
C6H5N3O5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C(=O)NC(=O)N
InChI
InChI=1S/C6H5N3O5/c7-6(11)8-5(10)3-1-2-4(14-3)9(12)13/h1-2H,(H3,7,8,10,11)
InChIKey
SYFZLWXALNXYSD-UHFFFAOYSA-N
Compound name
N-carbamoyl-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.02292 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.030196 136.5
[M+Na]+ 222.012138 142.6
[M-H]- 198.015644 140.8
[M+NH4]+ 217.056743 153.9
[M+K]+ 237.986078 139.4
[M+H-H2O]+ 182.020180 134.7
[M+HCOO]- 244.021121 163.2
[M+CH3COO]- 258.036771 178.2
[M+Na-2H]- 219.997586 143.1
[M]+ 199.02237142 134.3
[M]- 199.02346858 134.3
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

patents stripe