CID 120573

2-methyl-3-(2-methylphenyl)-6-phenyl-4(3h)-pyrimidinone

Structural Information

Molecular Formula
C18H16N2O
SMILES
CC1=CC=CC=C1N2C(=NC(=CC2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C18H16N2O/c1-13-8-6-7-11-17(13)20-14(2)19-16(12-18(20)21)15-9-4-3-5-10-15/h3-12H,1-2H3
InChIKey
SVOGRFBWKYBSSN-UHFFFAOYSA-N
Compound name
2-methyl-3-(2-methylphenyl)-6-phenylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12625 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 165.0
[M+Na]+ 299.11547 183.8
[M+NH4]+ 294.16007 173.7
[M+K]+ 315.08941 174.2
[M-H]- 275.11897 171.7
[M+Na-2H]- 297.10092 177.4
[M]+ 276.12570 169.9
[M]- 276.12680 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.