CID 3021400

4(3h)-pyrimidinone, 3-(2-chlorophenyl)-6-methyl-2-phenyl-

Structural Information

Molecular Formula
C17H13ClN2O
SMILES
CC1=CC(=O)N(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H13ClN2O/c1-12-11-16(21)20(15-10-6-5-9-14(15)18)17(19-12)13-7-3-2-4-8-13/h2-11H,1H3
InChIKey
LVASGIYRKHXOAA-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.07166 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07894 167.1
[M+Na]+ 319.06088 186.9
[M+NH4]+ 314.10548 176.2
[M+K]+ 335.03482 176.6
[M-H]- 295.06438 173.8
[M+Na-2H]- 317.04633 179.7
[M]+ 296.07111 172.5
[M]- 296.07221 172.5
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.