CID 3018105

1h-imidazole, 2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-, dimer

Structural Information

Molecular Formula
C23H18Cl2N2O2
SMILES
COC1=C(C=C(C=C1)C2=C(NC(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)OC
InChI
InChI=1S/C23H18Cl2N2O2/c1-28-19-12-11-14(13-20(19)29-2)21-22(15-7-3-5-9-17(15)24)27-23(26-21)16-8-4-6-10-18(16)25/h3-13H,1-2H3,(H,26,27)
InChIKey
JEIHVVWXQSLCQF-UHFFFAOYSA-N
Compound name
2,5-bis(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

424.07452 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.08180 199.8
[M+Na]+ 447.06374 210.5
[M-H]- 423.06724 208.5
[M+NH4]+ 442.10834 209.5
[M+K]+ 463.03768 201.5
[M+H-H2O]+ 407.07178 189.1
[M+HCOO]- 469.07272 210.4
[M+CH3COO]- 483.08837 209.2
[M+Na-2H]- 445.04919 198.5
[M]+ 424.07397 205.3
[M]- 424.07507 205.3
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

patents stripe