CID 510051

Chembl491023

Structural Information

Molecular Formula
C28H30N2
SMILES
CC(C)(C)C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C28H30N2/c1-28(2,3)26-15-11-23(12-16-26)20-27(30-18-17-29-21-30)19-22-9-13-25(14-10-22)24-7-5-4-6-8-24/h4-18,21,27H,19-20H2,1-3H3
InChIKey
XZXXVBGMNVOZHY-UHFFFAOYSA-N
Compound name
1-[1-(4-tert-butylphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

394.2409 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24818 201.5
[M+Na]+ 417.23012 206.3
[M-H]- 393.23362 210.8
[M+NH4]+ 412.27472 210.8
[M+K]+ 433.20406 198.7
[M+H-H2O]+ 377.23816 189.6
[M+HCOO]- 439.23910 218.9
[M+CH3COO]- 453.25475 209.8
[M+Na-2H]- 415.21557 202.0
[M]+ 394.24035 201.1
[M]- 394.24145 201.1
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

No patent data available for this compound.