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 162.2
[M+Na]+ 300.09548 172.0
[M-H]- 276.09898 164.5
[M+NH4]+ 295.14008 174.3
[M+K]+ 316.06942 167.6
[M+H-H2O]+ 260.10352 153.7
[M+HCOO]- 322.10446 182.5
[M+CH3COO]- 336.12011 197.9
[M+Na-2H]- 298.08093 165.7
[M]+ 277.10571 163.6
[M]- 277.10681 163.6
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