CID 475751

2-amino-5-(4-nitrophenyl)-3h-furo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C12H8N4O4
SMILES
C1=CC(=CC=C1C2=COC3=C2C(=O)NC(=N3)N)[N+](=O)[O-]
InChI
InChI=1S/C12H8N4O4/c13-12-14-10(17)9-8(5-20-11(9)15-12)6-1-3-7(4-2-6)16(18)19/h1-5H,(H3,13,14,15,17)
InChIKey
QNNHULUQQGQOAO-UHFFFAOYSA-N
Compound name
2-amino-5-(4-nitrophenyl)-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.05457 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.061846 154.1
[M+Na]+ 295.043788 164.0
[M-H]- 271.047294 159.9
[M+NH4]+ 290.088393 167.1
[M+K]+ 311.017728 156.1
[M+H-H2O]+ 255.051830 150.3
[M+HCOO]- 317.052771 177.8
[M+CH3COO]- 331.068421 190.1
[M+Na-2H]- 293.029236 163.6
[M]+ 272.05402142 153.8
[M]- 272.05511858 153.8
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.