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]+ 325.11828 174.6
[M+Na]+ 347.10022 182.8
[M-H]- 323.10372 181.9
[M+NH4]+ 342.14482 185.3
[M+K]+ 363.07416 179.3
[M+H-H2O]+ 307.10826 163.1
[M+HCOO]- 369.10920 196.7
[M+CH3COO]- 383.12485 207.0
[M+Na-2H]- 345.08567 180.8
[M]+ 324.11045 179.8
[M]- 324.11155 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.