CID 3008438

2,4-bis(4-methoxyphenoxy)pyrimidine

Structural Information

Molecular Formula
C18H16N2O4
SMILES
COC1=CC=C(C=C1)OC2=NC(=NC=C2)OC3=CC=C(C=C3)OC
InChI
InChI=1S/C18H16N2O4/c1-21-13-3-7-15(8-4-13)23-17-11-12-19-18(20-17)24-16-9-5-14(22-2)6-10-16/h3-12H,1-2H3
InChIKey
UZBQLKAVZLPRGJ-UHFFFAOYSA-N
Compound name
2,4-bis(4-methoxyphenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.111 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 174.6
[M+Na]+ 347.100218 182.8
[M-H]- 323.103724 181.9
[M+NH4]+ 342.144823 185.3
[M+K]+ 363.074158 179.3
[M+H-H2O]+ 307.108260 163.1
[M+HCOO]- 369.109201 196.7
[M+CH3COO]- 383.124851 207.0
[M+Na-2H]- 345.085666 180.8
[M]+ 324.11045142 179.8
[M]- 324.11154858 179.8
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.