CID 2756642

5-benzyloxymethyl-6-methyluracil

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC1=C(C(=O)NC(=O)N1)COCC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O3/c1-9-11(12(16)15-13(17)14-9)8-18-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,14,15,16,17)
InChIKey
WOHVAVCCVBQDMC-UHFFFAOYSA-N
Compound name
6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 153.6
[M+Na]+ 269.089668 162.9
[M-H]- 245.093174 155.6
[M+NH4]+ 264.134273 167.0
[M+K]+ 285.063608 157.5
[M+H-H2O]+ 229.097710 145.3
[M+HCOO]- 291.098651 173.6
[M+CH3COO]- 305.114301 187.6
[M+Na-2H]- 267.075116 159.1
[M]+ 246.09990142 153.7
[M]- 246.10099858 153.7
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.