CID 508513

5-[imidazol-1-yl(phenyl)methyl]-2,4-diphenyl-pyrimidine

Structural Information

Molecular Formula
C26H20N4
SMILES
C1=CC=C(C=C1)C2=NC(=NC=C2C(C3=CC=CC=C3)N4C=CN=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H20N4/c1-4-10-20(11-5-1)24-23(18-28-26(29-24)22-14-8-3-9-15-22)25(30-17-16-27-19-30)21-12-6-2-7-13-21/h1-19,25H
InChIKey
WBHVWWVWOQELKS-UHFFFAOYSA-N
Compound name
5-[imidazol-1-yl(phenyl)methyl]-2,4-diphenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.1688 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17608 194.4
[M+Na]+ 411.15802 200.5
[M-H]- 387.16152 204.0
[M+NH4]+ 406.20262 199.9
[M+K]+ 427.13196 191.3
[M+H-H2O]+ 371.16606 179.8
[M+HCOO]- 433.16700 211.8
[M+CH3COO]- 447.18265 202.3
[M+Na-2H]- 409.14347 197.2
[M]+ 388.16825 191.7
[M]- 388.16935 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.