CID 475756

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

Structural Information

Molecular Formula
C12H9N3O3
SMILES
C1=CC(=CC=C1C2=COC3=C2C(=O)NC(=N3)N)O
InChI
InChI=1S/C12H9N3O3/c13-12-14-10(17)9-8(5-18-11(9)15-12)6-1-3-7(16)4-2-6/h1-5,16H,(H3,13,14,15,17)
InChIKey
LGILABCCUSEUKI-UHFFFAOYSA-N
Compound name
2-amino-5-(4-hydroxyphenyl)-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.06439 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07167 150.2
[M+Na]+ 266.05361 162.2
[M-H]- 242.05711 154.7
[M+NH4]+ 261.09821 165.0
[M+K]+ 282.02755 157.6
[M+H-H2O]+ 226.06165 142.7
[M+HCOO]- 288.06259 171.8
[M+CH3COO]- 302.07824 163.2
[M+Na-2H]- 264.03906 157.0
[M]+ 243.06384 151.2
[M]- 243.06494 151.2
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.