CID 62476761

4-(benzyloxy)-2-chloro-6-methylpyrimidine

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
CC1=CC(=NC(=N1)Cl)OCC2=CC=CC=C2
InChI
InChI=1S/C12H11ClN2O/c1-9-7-11(15-12(13)14-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKey
NSRUAVFRZLOKLL-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-6-phenylmethoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05598 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06326 149.4
[M+Na]+ 257.04520 166.5
[M+NH4]+ 252.08980 158.4
[M+K]+ 273.01914 157.6
[M-H]- 233.04870 153.5
[M+Na-2H]- 255.03065 159.9
[M]+ 234.05543 153.5
[M]- 234.05653 153.5
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.