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

literature stripe

Patent stripe

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