CID 3034954

100486-97-3

Structural Information

Molecular Formula
C44H31Cl3N4O2
SMILES
COC1=C(C=C(C=C1)C2=C(N=C(N2N3C(=C(N=C3C4=CC=CC=C4Cl)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7Cl)C8=CC=CC=C8Cl)OC
InChI
InChI=1S/C44H31Cl3N4O2/c1-52-37-26-25-30(27-38(37)53-2)42-40(31-19-9-12-22-34(31)45)49-44(33-21-11-14-24-36(33)47)51(42)50-41(29-17-7-4-8-18-29)39(28-15-5-3-6-16-28)48-43(50)32-20-10-13-23-35(32)46/h3-27H,1-2H3
InChIKey
CCDFGBMWPCTZSG-UHFFFAOYSA-N
Compound name
2,4-bis(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]-5-(3,4-dimethoxyphenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

111
Patents

752.15125 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.15853 288.0
[M+Na]+ 775.14047 312.6
[M+NH4]+ 770.18507 294.7
[M+K]+ 791.11441 299.6
[M-H]- 751.14397 302.4
[M+Na-2H]- 773.12592 302.2
[M]+ 752.15070 297.2
[M]- 752.15180 297.2
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

patents stripe