CID 3021389

Brn 4463751

Structural Information

Molecular Formula
C16H11ClN2O
SMILES
C1=CC=C(C=C1)C2=NC=CC(=O)N2C3=CC=CC=C3Cl
InChI
InChI=1S/C16H11ClN2O/c17-13-8-4-5-9-14(13)19-15(20)10-11-18-16(19)12-6-2-1-3-7-12/h1-11H
InChIKey
JGSSFNWRVIIELL-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-2-phenylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.056 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.063276 161.8
[M+Na]+ 305.045218 172.6
[M-H]- 281.048724 169.0
[M+NH4]+ 300.089823 175.4
[M+K]+ 321.019158 165.3
[M+H-H2O]+ 265.053260 151.9
[M+HCOO]- 327.054201 179.6
[M+CH3COO]- 341.069851 174.0
[M+Na-2H]- 303.030666 168.5
[M]+ 282.05545142 163.8
[M]- 282.05654858 163.8
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.