CID 508512

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

Structural Information

Molecular Formula
C21H18N4
SMILES
CC1=NC=C(C(=N1)C2=CC=CC=C2)C(C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C21H18N4/c1-16-23-14-19(20(24-16)17-8-4-2-5-9-17)21(25-13-12-22-15-25)18-10-6-3-7-11-18/h2-15,21H,1H3
InChIKey
ZCXXHGAIYMJVGO-UHFFFAOYSA-N
Compound name
5-[imidazol-1-yl(phenyl)methyl]-2-methyl-4-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.15314 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.16042 178.3
[M+Na]+ 349.14236 185.8
[M-H]- 325.14586 185.6
[M+NH4]+ 344.18696 187.4
[M+K]+ 365.11630 178.3
[M+H-H2O]+ 309.15040 165.4
[M+HCOO]- 371.15134 196.9
[M+CH3COO]- 385.16699 187.9
[M+Na-2H]- 347.12781 181.8
[M]+ 326.15259 177.1
[M]- 326.15369 177.1
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.