CID 91636356

4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine

Structural Information

Molecular Formula
C13H13BrN2O2
SMILES
CC1=NC(=CC(=N1)Br)OCC2=CC=C(C=C2)OC
InChI
InChI=1S/C13H13BrN2O2/c1-9-15-12(14)7-13(16-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3
InChIKey
MNYMSPIKWORYPH-UHFFFAOYSA-N
Compound name
4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.01605 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02333 160.7
[M+Na]+ 331.00527 166.5
[M+NH4]+ 326.04987 164.9
[M+K]+ 346.97921 165.3
[M-H]- 307.00877 162.5
[M+Na-2H]- 328.99072 166.2
[M]+ 308.01550 161.0
[M]- 308.01660 161.0
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.