CID 475743

2-amino-5-phenyl-3h-furo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C12H9N3O2
SMILES
C1=CC=C(C=C1)C2=COC3=C2C(=O)NC(=N3)N
InChI
InChI=1S/C12H9N3O2/c13-12-14-10(16)9-8(6-17-11(9)15-12)7-4-2-1-3-5-7/h1-6H,(H3,13,14,15,16)
InChIKey
PSENJDZOPPZVKY-UHFFFAOYSA-N
Compound name
2-amino-5-phenyl-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.06947 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.076746 146.2
[M+Na]+ 250.058688 158.0
[M-H]- 226.062194 151.7
[M+NH4]+ 245.103293 162.3
[M+K]+ 266.032628 153.6
[M+H-H2O]+ 210.066730 138.5
[M+HCOO]- 272.067671 169.3
[M+CH3COO]- 286.083321 159.8
[M+Na-2H]- 248.044136 154.2
[M]+ 227.06892142 147.2
[M]- 227.07001858 147.2
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.