CID 4180439

4,5-diphenyl-1-tritylimidazole

Structural Information

Molecular Formula
C34H26N2
SMILES
C1=CC=C(C=C1)C2=C(N(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C34H26N2/c1-6-16-27(17-7-1)32-33(28-18-8-2-9-19-28)36(26-35-32)34(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H
InChIKey
LGEQKBQDFVOESR-UHFFFAOYSA-N
Compound name
4,5-diphenyl-1-tritylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

462.2096 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.216876 216.6
[M+Na]+ 485.198818 221.0
[M-H]- 461.202324 230.7
[M+NH4]+ 480.243423 221.1
[M+K]+ 501.172758 210.8
[M+H-H2O]+ 445.206860 201.9
[M+HCOO]- 507.207801 234.0
[M+CH3COO]- 521.223451 223.3
[M+Na-2H]- 483.184266 218.7
[M]+ 462.20905142 212.4
[M]- 462.21014858 212.4
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

patents stripe