CID 3021395

Brn 4488310

Structural Information

Molecular Formula
C17H13FN2O
SMILES
CC1=CC(=O)N(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3F
InChI
InChI=1S/C17H13FN2O/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
GPECGSQKYOJJRK-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1012 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10848 163.5
[M+Na]+ 303.09042 174.2
[M-H]- 279.09392 170.0
[M+NH4]+ 298.13502 176.7
[M+K]+ 319.06436 167.7
[M+H-H2O]+ 263.09846 152.4
[M+HCOO]- 325.09940 184.6
[M+CH3COO]- 339.11505 175.5
[M+Na-2H]- 301.07587 168.8
[M]+ 280.10065 163.1
[M]- 280.10175 163.1
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.