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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 167.8
[M+Na]+ 315.11042 174.6
[M-H]- 291.11392 174.2
[M+NH4]+ 310.15502 179.4
[M+K]+ 331.08436 169.6
[M+H-H2O]+ 275.11846 156.5
[M+HCOO]- 337.11940 189.6
[M+CH3COO]- 351.13505 178.6
[M+Na-2H]- 313.09587 175.5
[M]+ 292.12065 169.4
[M]- 292.12175 169.4
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.