CID 475746

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

Structural Information

Molecular Formula
C13H11N3O3
SMILES
COC1=CC=C(C=C1)C2=COC3=C2C(=O)NC(=N3)N
InChI
InChI=1S/C13H11N3O3/c1-18-8-4-2-7(3-5-8)9-6-19-12-10(9)11(17)15-13(14)16-12/h2-6H,1H3,(H3,14,15,16,17)
InChIKey
XFISYEOJZDDZRR-UHFFFAOYSA-N
Compound name
2-amino-5-(4-methoxyphenyl)-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.08005 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 154.5
[M+Na]+ 280.06927 166.4
[M-H]- 256.07277 160.2
[M+NH4]+ 275.11387 169.5
[M+K]+ 296.04321 162.5
[M+H-H2O]+ 240.07731 146.5
[M+HCOO]- 302.07825 177.3
[M+CH3COO]- 316.09390 167.7
[M+Na-2H]- 278.05472 161.1
[M]+ 257.07950 157.6
[M]- 257.08060 157.6
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.