CID 3021392

Brn 4486580

Structural Information

Molecular Formula
C17H13ClN2O
SMILES
CC1=C(C=C(C=C1)Cl)N2C(=O)C=CN=C2C3=CC=CC=C3
InChI
InChI=1S/C17H13ClN2O/c1-12-7-8-14(18)11-15(12)20-16(21)9-10-19-17(20)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey
GOTSODROYXXSOJ-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methylphenyl)-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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.