CID 135908253

4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5h)-one

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CC1=C(C=CC(=C1)C2=NC(=O)N=C(C2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-9,20H,10H2,1H3
InChIKey
AZXKZZMGLACNIJ-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.10553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.112806 164.7
[M+Na]+ 301.094748 173.8
[M-H]- 277.098254 171.0
[M+NH4]+ 296.139353 177.1
[M+K]+ 317.068688 167.9
[M+H-H2O]+ 261.102790 154.8
[M+HCOO]- 323.103731 184.3
[M+CH3COO]- 337.119381 176.0
[M+Na-2H]- 299.080196 169.3
[M]+ 278.10498142 163.5
[M]- 278.10607858 163.5
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

patents stripe