CID 508516

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

Structural Information

Molecular Formula
C21H18N4O
SMILES
COC1=NC=C(C(=N1)C2=CC=CC=C2)C(C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C21H18N4O/c1-26-21-23-14-18(19(24-21)16-8-4-2-5-9-16)20(25-13-12-22-15-25)17-10-6-3-7-11-17/h2-15,20H,1H3
InChIKey
MLSKXCJYWNOENG-UHFFFAOYSA-N
Compound name
5-[imidazol-1-yl(phenyl)methyl]-2-methoxy-4-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.14807 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15535 181.3
[M+Na]+ 365.13729 188.5
[M-H]- 341.14079 188.6
[M+NH4]+ 360.18189 189.5
[M+K]+ 381.11123 181.7
[M+H-H2O]+ 325.14533 168.2
[M+HCOO]- 387.14627 200.0
[M+CH3COO]- 401.16192 190.7
[M+Na-2H]- 363.12274 184.8
[M]+ 342.14752 181.3
[M]- 342.14862 181.3
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.