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

3970
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 259.6
[M+Na]+ 681.15832 267.7
[M-H]- 657.16182 276.1
[M+NH4]+ 676.20292 258.5
[M+K]+ 697.13226 255.0
[M+H-H2O]+ 641.16636 239.4
[M+HCOO]- 703.16730 265.8
[M+CH3COO]- 717.18295 263.1
[M+Na-2H]- 679.14377 252.5
[M]+ 658.16855 261.2
[M]- 658.16965 261.2
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.