CID 3076703

4-(2-(2,5-dimethylphenyl)-2-phenylethyl)-1h-imidazole monohydrochloride

Structural Information

Molecular Formula
C19H20N2
SMILES
CC1=CC(=C(C=C1)C)C(CC2=CN=CN2)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2/c1-14-8-9-15(2)18(10-14)19(11-17-12-20-13-21-17)16-6-4-3-5-7-16/h3-10,12-13,19H,11H2,1-2H3,(H,20,21)
InChIKey
LGQDMIQQNFUHHB-UHFFFAOYSA-N
Compound name
5-[2-(2,5-dimethylphenyl)-2-phenylethyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.16266 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16994 168.2
[M+Na]+ 299.15188 183.5
[M+NH4]+ 294.19648 176.8
[M+K]+ 315.12582 176.4
[M-H]- 275.15538 173.7
[M+Na-2H]- 297.13733 178.5
[M]+ 276.16211 172.1
[M]- 276.16321 172.1
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.