CID 3076697

4-(2-(2-methylphenyl)-2-phenylethyl)-1h-imidazole monohydrochloride

Structural Information

Molecular Formula
C18H18N2
SMILES
CC1=CC=CC=C1C(CC2=CN=CN2)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2/c1-14-7-5-6-10-17(14)18(11-16-12-19-13-20-16)15-8-3-2-4-9-15/h2-10,12-13,18H,11H2,1H3,(H,19,20)
InChIKey
RLJRDCQVGNAVPO-UHFFFAOYSA-N
Compound name
5-[2-(2-methylphenyl)-2-phenylethyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.147 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15428 162.0
[M+Na]+ 285.13622 168.3
[M-H]- 261.13972 167.5
[M+NH4]+ 280.18082 176.3
[M+K]+ 301.11016 162.1
[M+H-H2O]+ 245.14426 152.4
[M+HCOO]- 307.14520 182.0
[M+CH3COO]- 321.16085 172.8
[M+Na-2H]- 283.12167 165.3
[M]+ 262.14645 159.5
[M]- 262.14755 159.5
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.