CID 12024852

5-(4-methoxyphenyl)-2-phenyl-1h-imidazole

Structural Information

Molecular Formula
C16H14N2O
SMILES
COC1=CC=C(C=C1)C2=CN=C(N2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O/c1-19-14-9-7-12(8-10-14)15-11-17-16(18-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKey
ZJUBRROOFQATFF-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-2-phenyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

250.11061 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 156.2
[M+Na]+ 273.099828 164.7
[M-H]- 249.103334 162.4
[M+NH4]+ 268.144433 171.4
[M+K]+ 289.073768 159.0
[M+H-H2O]+ 233.107870 147.0
[M+HCOO]- 295.108811 178.2
[M+CH3COO]- 309.124461 168.3
[M+Na-2H]- 271.085276 161.0
[M]+ 250.11006142 155.5
[M]- 250.11115858 155.5
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

patents stripe