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

3
Patents

234.05598 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.063256 148.6
[M+Na]+ 257.045198 158.6
[M-H]- 233.048704 152.6
[M+NH4]+ 252.089803 164.6
[M+K]+ 273.019138 153.6
[M+H-H2O]+ 217.053240 140.3
[M+HCOO]- 279.054181 166.4
[M+CH3COO]- 293.069831 189.4
[M+Na-2H]- 255.030646 155.9
[M]+ 234.05543142 152.1
[M]- 234.05652858 152.1
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

patents stripe