CID 135406787

Brn 0792790

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC1=CC(=CC=C1)OCC2=NC(=CC(=O)N2)C
InChI
InChI=1S/C13H14N2O2/c1-9-4-3-5-11(6-9)17-8-12-14-10(2)7-13(16)15-12/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKey
IMQFKJAIUBQTNX-UHFFFAOYSA-N
Compound name
4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

230.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 150.7
[M+Na]+ 253.09475 160.4
[M-H]- 229.09825 154.0
[M+NH4]+ 248.13935 165.6
[M+K]+ 269.06869 155.8
[M+H-H2O]+ 213.10279 142.3
[M+HCOO]- 275.10373 171.8
[M+CH3COO]- 289.11938 188.6
[M+Na-2H]- 251.08020 156.7
[M]+ 230.10498 151.9
[M]- 230.10608 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.