CID 3015939

1-benzyl-2-phenyl-1h-imidazole

Structural Information

Molecular Formula
C16H14N2
SMILES
C1=CC=C(C=C1)CN2C=CN=C2C3=CC=CC=C3
InChI
InChI=1S/C16H14N2/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15/h1-12H,13H2
InChIKey
XZKLXPPYISZJCV-UHFFFAOYSA-N
Compound name
1-benzyl-2-phenylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10837
Patents

234.11569 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.