CID 81610

7189-82-4

Structural Information

Molecular Formula
C42H28Cl2N4
SMILES
C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=CC=C3Cl)C4(N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7Cl)C8=CC=CC=C8
InChI
InChI=1S/C42H28Cl2N4/c43-35-27-15-13-25-33(35)41-45-39(31-21-9-3-10-22-31)40(32-23-11-4-12-24-32)48(41)42(34-26-14-16-28-36(34)44)46-37(29-17-5-1-6-18-29)38(47-42)30-19-7-2-8-20-30/h1-28H
InChIKey
MHDULSOPQSUKBQ-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6006
Patents

658.1691 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.17638 264.4
[M+Na]+ 681.15832 288.9
[M+NH4]+ 676.20292 273.8
[M+K]+ 697.13226 274.4
[M-H]- 657.16182 279.8
[M+Na-2H]- 679.14377 282.6
[M]+ 658.16855 273.7
[M]- 658.16965 273.7
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