CID 3076699

4-(2-(3-methylphenyl)-2-phenylethyl)-1h-imidazole monohydrochloride

Structural Information

Molecular Formula
C18H18N2
SMILES
CC1=CC(=CC=C1)C(CC2=CN=CN2)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2/c1-14-6-5-9-16(10-14)18(11-17-12-19-13-20-17)15-7-3-2-4-8-15/h2-10,12-13,18H,11H2,1H3,(H,19,20)
InChIKey
HZDGCMMIJIRWDZ-UHFFFAOYSA-N
Compound name
5-[2-(3-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]+ 263.154276 162.0
[M+Na]+ 285.136218 168.3
[M-H]- 261.139724 167.5
[M+NH4]+ 280.180823 176.3
[M+K]+ 301.110158 162.1
[M+H-H2O]+ 245.144260 152.4
[M+HCOO]- 307.145201 182.0
[M+CH3COO]- 321.160851 172.8
[M+Na-2H]- 283.121666 165.3
[M]+ 262.14645142 159.5
[M]- 262.14754858 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.