CID 509592

1-(benzyloxymethyl)-6-(2-naphthylmethyl)-5-propyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C26H26N2O3
SMILES
CCCC1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)CC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C26H26N2O3/c1-2-8-23-24(16-20-13-14-21-11-6-7-12-22(21)15-20)28(26(30)27-25(23)29)18-31-17-19-9-4-3-5-10-19/h3-7,9-15H,2,8,16-18H2,1H3,(H,27,29,30)
InChIKey
MTNPDZAKPGANEN-UHFFFAOYSA-N
Compound name
6-(naphthalen-2-ylmethyl)-1-(phenylmethoxymethyl)-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.19434 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20162 204.1
[M+Na]+ 437.18356 211.9
[M-H]- 413.18706 210.3
[M+NH4]+ 432.22816 211.5
[M+K]+ 453.15750 203.6
[M+H-H2O]+ 397.19160 191.5
[M+HCOO]- 459.19254 221.4
[M+CH3COO]- 473.20819 212.2
[M+Na-2H]- 435.16901 206.8
[M]+ 414.19379 206.5
[M]- 414.19489 206.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.