CID 475750

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

Structural Information

Molecular Formula
C12H8N4O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=COC3=C2C(=O)NC(=N3)N
InChI
InChI=1S/C12H8N4O4/c13-12-14-10(17)9-8(5-20-11(9)15-12)6-2-1-3-7(4-6)16(18)19/h1-5H,(H3,13,14,15,17)
InChIKey
WQDVYJOAXQMWDS-UHFFFAOYSA-N
Compound name
2-amino-5-(3-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]+ 273.06185 154.1
[M+Na]+ 295.04379 164.0
[M-H]- 271.04729 159.9
[M+NH4]+ 290.08839 167.1
[M+K]+ 311.01773 156.1
[M+H-H2O]+ 255.05183 150.3
[M+HCOO]- 317.05277 177.8
[M+CH3COO]- 331.06842 190.1
[M+Na-2H]- 293.02924 163.6
[M]+ 272.05402 153.8
[M]- 272.05512 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.