CID 74357

1707-68-2

Structural Information

Molecular Formula
C42H28Cl2N4
SMILES
C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=CC=C3Cl)N4C(=C(N=C4C5=CC=CC=C5Cl)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C42H28Cl2N4/c43-35-27-15-13-25-33(35)41-45-37(29-17-5-1-6-18-29)39(31-21-9-3-10-22-31)47(41)48-40(32-23-11-4-12-24-32)38(30-19-7-2-8-20-30)46-42(48)34-26-14-16-28-36(34)44/h1-28H
InChIKey
VOKXCKZXSBBOPC-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

890
Patents

658.1691 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.17638 260.3
[M+Na]+ 681.15832 268.8
[M-H]- 657.16182 277.0
[M+NH4]+ 676.20292 257.7
[M+K]+ 697.13226 255.8
[M+H-H2O]+ 641.16636 241.3
[M+HCOO]- 703.16730 267.3
[M+CH3COO]- 717.18295 264.1
[M+Na-2H]- 679.14377 252.8
[M]+ 658.16855 263.3
[M]- 658.16965 263.3
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.