CID 11975774

5-benzyl-1-(benzyloxymethyl)-6-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CC1=C(C(=O)NC(=O)N1COCC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H20N2O3/c1-15-18(12-16-8-4-2-5-9-16)19(23)21-20(24)22(15)14-25-13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,21,23,24)
InChIKey
RCNMPRLEZYJTNH-UHFFFAOYSA-N
Compound name
5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 180.0
[M+Na]+ 359.13662 188.7
[M-H]- 335.14012 186.0
[M+NH4]+ 354.18122 189.9
[M+K]+ 375.11056 182.0
[M+H-H2O]+ 319.14466 169.1
[M+HCOO]- 381.14560 200.1
[M+CH3COO]- 395.16125 208.3
[M+Na-2H]- 357.12207 183.9
[M]+ 336.14685 181.8
[M]- 336.14795 181.8
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.