CID 13734024

5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diol

Structural Information

Molecular Formula
C14H16N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=CNC(=O)NC2=O
InChI
InChI=1S/C14H16N2O5/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-15-14(18)16-13(9)17/h5-7H,4H2,1-3H3,(H2,15,16,17,18)
InChIKey
UIGVTTACTLNWLU-UHFFFAOYSA-N
Compound name
5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 163.6
[M+Na]+ 315.09515 173.9
[M-H]- 291.09865 166.2
[M+NH4]+ 310.13975 175.5
[M+K]+ 331.06909 169.7
[M+H-H2O]+ 275.10319 155.0
[M+HCOO]- 337.10413 183.5
[M+CH3COO]- 351.11978 197.7
[M+Na-2H]- 313.08060 167.2
[M]+ 292.10538 167.7
[M]- 292.10648 167.7
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

No patent data available for this compound.