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]+ 228.07675 146.2
[M+Na]+ 250.05869 158.0
[M-H]- 226.06219 151.7
[M+NH4]+ 245.10329 162.3
[M+K]+ 266.03263 153.6
[M+H-H2O]+ 210.06673 138.5
[M+HCOO]- 272.06767 169.3
[M+CH3COO]- 286.08332 159.8
[M+Na-2H]- 248.04414 154.2
[M]+ 227.06892 147.2
[M]- 227.07002 147.3
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

No patent data available for this compound.