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]+ 231.112806 150.7
[M+Na]+ 253.094748 160.4
[M-H]- 229.098254 154.0
[M+NH4]+ 248.139353 165.6
[M+K]+ 269.068688 155.8
[M+H-H2O]+ 213.102790 142.3
[M+HCOO]- 275.103731 171.8
[M+CH3COO]- 289.119381 188.6
[M+Na-2H]- 251.080196 156.7
[M]+ 230.10498142 151.9
[M]- 230.10607858 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.