CID 509582

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

Structural Information

Molecular Formula
C26H26N2O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H26N2O3/c1-18(2)24-23(15-21-13-8-12-20-11-6-7-14-22(20)21)28(26(30)27-25(24)29)17-31-16-19-9-4-3-5-10-19/h3-14,18H,15-17H2,1-2H3,(H,27,29,30)
InChIKey
BYXMFGWRRQLEPK-UHFFFAOYSA-N
Compound name
6-(naphthalen-1-ylmethyl)-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.19434 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20162 203.7
[M+Na]+ 437.18356 211.1
[M-H]- 413.18706 210.0
[M+NH4]+ 432.22816 211.0
[M+K]+ 453.15750 203.4
[M+H-H2O]+ 397.19160 191.4
[M+HCOO]- 459.19254 220.0
[M+CH3COO]- 473.20819 211.7
[M+Na-2H]- 435.16901 205.4
[M]+ 414.19379 205.6
[M]- 414.19489 205.6
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.