CID 11975771

1,3-dibenzyl-5-((benzyloxy)methyl)-6-methylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C27H26N2O3
SMILES
CC1=C(C(=O)N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)COCC4=CC=CC=C4
InChI
InChI=1S/C27H26N2O3/c1-21-25(20-32-19-24-15-9-4-10-16-24)26(30)29(18-23-13-7-3-8-14-23)27(31)28(21)17-22-11-5-2-6-12-22/h2-16H,17-20H2,1H3
InChIKey
OGFKYQRLNHWCIQ-UHFFFAOYSA-N
Compound name
1,3-dibenzyl-6-methyl-5-(phenylmethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20162 207.5
[M+Na]+ 449.18356 215.2
[M-H]- 425.18706 217.2
[M+NH4]+ 444.22816 213.6
[M+K]+ 465.15750 207.5
[M+H-H2O]+ 409.19160 193.7
[M+HCOO]- 471.19254 227.4
[M+CH3COO]- 485.20819 216.0
[M+Na-2H]- 447.16901 209.3
[M]+ 426.19379 210.5
[M]- 426.19489 210.5
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.