CID 12229396

1-(biphenyl-4-ylmethyl)-1h-imidazole

Structural Information

Molecular Formula
C16H14N2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C=CN=C3
InChI
InChI=1S/C16H14N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-11-10-17-13-18/h1-11,13H,12H2
InChIKey
DLYMRVCQTVOYEW-UHFFFAOYSA-N
Compound name
1-[(4-phenylphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

234.11569 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12297 152.5
[M+Na]+ 257.10491 160.5
[M-H]- 233.10841 159.5
[M+NH4]+ 252.14951 168.8
[M+K]+ 273.07885 155.2
[M+H-H2O]+ 217.11295 142.8
[M+HCOO]- 279.11389 175.7
[M+CH3COO]- 293.12954 165.0
[M+Na-2H]- 255.09036 158.4
[M]+ 234.11514 151.8
[M]- 234.11624 151.8
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