CID 597783

2-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1h-pyrimidin-4-one

Structural Information

Molecular Formula
C14H17N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=CN=C(NC2=O)N
InChI
InChI=1S/C14H17N3O4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-16-14(15)17-13(9)18/h5-7H,4H2,1-3H3,(H3,15,16,17,18)
InChIKey
ZKFZTBRMADDRMK-UHFFFAOYSA-N
Compound name
2-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

291.12192 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.129196 166.2
[M+Na]+ 314.111138 175.9
[M-H]- 290.114644 169.6
[M+NH4]+ 309.155743 178.3
[M+K]+ 330.085078 172.2
[M+H-H2O]+ 274.119180 157.1
[M+HCOO]- 336.120121 187.6
[M+CH3COO]- 350.135771 203.1
[M+Na-2H]- 312.096586 169.6
[M]+ 291.12137142 169.6
[M]- 291.12246858 169.6
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

patents stripe