CID 42553068

4,6-bis(benzyloxy)pyrimidine

Structural Information

Molecular Formula

C₁₈H₁₆N₂O₂

SMILES

C1=CC=C(C=C1)COC2=CC(=NC=N2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2/c1-3-7-15(8-4-1)12-21-17-11-18(20-14-19-17)22-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2

InChIKey

WFHVBLJSKBEUKF-UHFFFAOYSA-N

Compound name

4,6-bis(phenylmethoxy)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 292.1212 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.12848	169.1
[M+Na]+	315.11042	186.2
[M+NH4]+	310.15502	177.4
[M+K]+	331.08436	176.7
[M-H]-	291.11392	175.3
[M+Na-2H]-	313.09587	181.8
[M]+	292.12065	173.5
[M]-	292.12175	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe