CID 3008444

2,4-bis(4-methoxyphenoxy)-5-methyl-pyrimidine

Structural Information

Molecular Formula
C19H18N2O4
SMILES
CC1=CN=C(N=C1OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H18N2O4/c1-13-12-20-19(25-17-10-6-15(23-3)7-11-17)21-18(13)24-16-8-4-14(22-2)5-9-16/h4-12H,1-3H3
InChIKey
ABQRDLUJCSAUEC-UHFFFAOYSA-N
Compound name
2,4-bis(4-methoxyphenoxy)-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.12665 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 179.5
[M+Na]+ 361.11587 188.2
[M-H]- 337.11937 187.0
[M+NH4]+ 356.16047 189.9
[M+K]+ 377.08981 184.6
[M+H-H2O]+ 321.12391 168.0
[M+HCOO]- 383.12485 201.3
[M+CH3COO]- 397.14050 211.1
[M+Na-2H]- 359.10132 184.4
[M]+ 338.12610 185.4
[M]- 338.12720 185.4
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

No patent data available for this compound.