CID 3011954

Chembl366263

Structural Information

Molecular Formula
C10H8N4O5
SMILES
COC1=NC=NC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N4O5/c1-18-8-4-7(11-5-12-8)13-10(15)6-2-3-9(19-6)14(16)17/h2-5H,1H3,(H,11,12,13,15)
InChIKey
HVDDZHFXUSMDCU-UHFFFAOYSA-N
Compound name
N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.04947 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.05675 152.4
[M+Na]+ 287.03869 159.3
[M-H]- 263.04219 158.1
[M+NH4]+ 282.08329 165.1
[M+K]+ 303.01263 154.9
[M+H-H2O]+ 247.04673 148.1
[M+HCOO]- 309.04767 177.1
[M+CH3COO]- 323.06332 189.4
[M+Na-2H]- 285.02414 160.9
[M]+ 264.04892 153.6
[M]- 264.05002 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.