CID 135746695

Brn 0797627

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
CC1=CC(=O)NC(=N1)COC2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H11ClN2O2/c1-8-5-12(16)15-11(14-8)7-17-10-4-2-3-9(13)6-10/h2-6H,7H2,1H3,(H,14,15,16)
InChIKey
VAANRVHPUUMHHN-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05818 152.5
[M+Na]+ 273.04012 168.9
[M+NH4]+ 268.08472 160.3
[M+K]+ 289.01406 161.0
[M-H]- 249.04362 155.4
[M+Na-2H]- 271.02557 161.6
[M]+ 250.05035 156.0
[M]- 250.05145 156.0
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.