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]+ 293.113206 163.6
[M+Na]+ 315.095148 173.9
[M-H]- 291.098654 166.2
[M+NH4]+ 310.139753 175.5
[M+K]+ 331.069088 169.7
[M+H-H2O]+ 275.103190 155.0
[M+HCOO]- 337.104131 183.5
[M+CH3COO]- 351.119781 197.7
[M+Na-2H]- 313.080596 167.2
[M]+ 292.10538142 167.7
[M]- 292.10647858 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.