CID 12577393

72920-13-9

Structural Information

Molecular Formula
C13H15N3O4
SMILES
COC1=CC(=CC(=C1O)OC)CC2=CN=C(NC2=O)N
InChI
InChI=1S/C13H15N3O4/c1-19-9-4-7(5-10(20-2)11(9)17)3-8-6-15-13(14)16-12(8)18/h4-6,17H,3H2,1-2H3,(H3,14,15,16,18)
InChIKey
GCGONLKCVURQKO-UHFFFAOYSA-N
Compound name
2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.10626 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11354 162.7
[M+Na]+ 300.09548 175.7
[M+NH4]+ 295.14008 167.8
[M+K]+ 316.06942 171.0
[M-H]- 276.09898 164.2
[M+Na-2H]- 298.08093 168.5
[M]+ 277.10571 164.7
[M]- 277.10681 164.7
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

patents stripe