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]+ 251.058176 151.4
[M+Na]+ 273.040118 162.2
[M-H]- 249.043624 154.6
[M+NH4]+ 268.084723 166.3
[M+K]+ 289.014058 156.2
[M+H-H2O]+ 233.048160 143.6
[M+HCOO]- 295.049101 168.2
[M+CH3COO]- 309.064751 189.4
[M+Na-2H]- 271.025566 157.5
[M]+ 250.05035142 154.2
[M]- 250.05144858 154.2
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.