CID 45050879

1-(4-methylphenyl)-2,4,5-triphenyl-1h-imidazole

Structural Information

Molecular Formula
C28H22N2
SMILES
CC1=CC=C(C=C1)N2C(=C(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H22N2/c1-21-17-19-25(20-18-21)30-27(23-13-7-3-8-14-23)26(22-11-5-2-6-12-22)29-28(30)24-15-9-4-10-16-24/h2-20H,1H3
InChIKey
RFZBRFSCRBCSQD-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-2,4,5-triphenylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

386.17828 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.185556 197.4
[M+Na]+ 409.167498 205.1
[M-H]- 385.171004 210.2
[M+NH4]+ 404.212103 206.6
[M+K]+ 425.141438 195.8
[M+H-H2O]+ 369.175540 184.4
[M+HCOO]- 431.176481 218.1
[M+CH3COO]- 445.192131 206.9
[M+Na-2H]- 407.152946 198.5
[M]+ 386.17773142 195.9
[M]- 386.17882858 195.9
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

patents stripe