CID 13280774

Brn 4523917

Structural Information

Molecular Formula
C22H15FN2O
SMILES
C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)F
InChI
InChI=1S/C22H15FN2O/c23-18-12-7-13-19(14-18)25-21(26)15-20(16-8-3-1-4-9-16)24-22(25)17-10-5-2-6-11-17/h1-15H
InChIKey
QEWRJTQBCMOIEC-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11685 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12413 182.5
[M+Na]+ 365.10607 192.0
[M-H]- 341.10957 191.3
[M+NH4]+ 360.15067 192.1
[M+K]+ 381.08001 183.7
[M+H-H2O]+ 325.11411 169.2
[M+HCOO]- 387.11505 202.6
[M+CH3COO]- 401.13070 192.7
[M+Na-2H]- 363.09152 187.1
[M]+ 342.11630 180.7
[M]- 342.11740 180.7
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.