CID 57393199

4,4'-di(1h-imidazol-1-yl)-1,1'-biphenyl

Structural Information

Molecular Formula
C18H14N4
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N3C=CN=C3)N4C=CN=C4
InChI
InChI=1S/C18H14N4/c1-5-17(21-11-9-19-13-21)6-2-15(1)16-3-7-18(8-4-16)22-12-10-20-14-22/h1-14H
InChIKey
MIFVIKFUGIBACJ-UHFFFAOYSA-N
Compound name
1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

20
Patents

286.12186 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12914 163.8
[M+Na]+ 309.11108 173.9
[M-H]- 285.11458 172.4
[M+NH4]+ 304.15568 176.8
[M+K]+ 325.08502 167.2
[M+H-H2O]+ 269.11912 152.2
[M+HCOO]- 331.12006 186.8
[M+CH3COO]- 345.13571 175.8
[M+Na-2H]- 307.09653 167.7
[M]+ 286.12131 164.8
[M]- 286.12241 164.8
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