CID 3021397

Brn 4549074

Structural Information

Molecular Formula
C28H20N2O
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C=C(N=C3C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H20N2O/c31-27-20-25(22-14-6-2-7-15-22)29-28(23-16-8-3-9-17-23)30(27)26-19-11-10-18-24(26)21-12-4-1-5-13-21/h1-20H
InChIKey
DVJSHGXYNZFCSP-UHFFFAOYSA-N
Compound name
2,6-diphenyl-3-(2-phenylphenyl)pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.15756 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16484 201.9
[M+Na]+ 423.14678 209.5
[M-H]- 399.15028 214.0
[M+NH4]+ 418.19138 208.1
[M+K]+ 439.12072 200.0
[M+H-H2O]+ 383.15482 187.3
[M+HCOO]- 445.15576 221.5
[M+CH3COO]- 459.17141 210.4
[M+Na-2H]- 421.13223 205.9
[M]+ 400.15701 199.6
[M]- 400.15811 199.6
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.