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 158.2
[M+Na]+ 331.00527 170.5
[M-H]- 307.00877 165.2
[M+NH4]+ 326.04987 174.6
[M+K]+ 346.97921 159.4
[M+H-H2O]+ 291.01331 156.1
[M+HCOO]- 353.01425 178.3
[M+CH3COO]- 367.02990 201.0
[M+Na-2H]- 328.99072 165.8
[M]+ 308.01550 180.4
[M]- 308.01660 180.4
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.