CID 122478

29777-36-4

Structural Information

Molecular Formula
C46H36Cl2N4O4
SMILES
COC1=CC=CC(=C1)C2=C(N(C(=N2)C3=CC=CC=C3Cl)N4C(=C(N=C4C5=CC=CC=C5Cl)C6=CC(=CC=C6)OC)C7=CC(=CC=C7)OC)C8=CC(=CC=C8)OC
InChI
InChI=1S/C46H36Cl2N4O4/c1-53-33-17-9-13-29(25-33)41-43(31-15-11-19-35(27-31)55-3)51(45(49-41)37-21-5-7-23-39(37)47)52-44(32-16-12-20-36(28-32)56-4)42(30-14-10-18-34(26-30)54-2)50-46(52)38-22-6-8-24-40(38)48/h5-28H,1-4H3
InChIKey
BMHQBXUGLBYQIN-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]-4,5-bis(3-methoxyphenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

778.21136 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.21864 296.3
[M+Na]+ 801.20058 320.3
[M+NH4]+ 796.24518 301.9
[M+K]+ 817.17452 308.9
[M-H]- 777.20408 311.1
[M+Na-2H]- 799.18603 310.4
[M]+ 778.21081 305.2
[M]- 778.21191 305.2
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