CID 457236

Chembl22104

Structural Information

Molecular Formula
C26H24Cl2N2O2
SMILES
COC1=CC=C(C=C1)C(CC2=C(C=C(C=C2)Cl)Cl)C(C3=CC=C(C=C3)OC)N4C=CN=C4
InChI
InChI=1S/C26H24Cl2N2O2/c1-31-22-9-4-18(5-10-22)24(15-20-3-8-21(27)16-25(20)28)26(30-14-13-29-17-30)19-6-11-23(32-2)12-7-19/h3-14,16-17,24,26H,15H2,1-2H3
InChIKey
YBNHRMLIPQTUEJ-UHFFFAOYSA-N
Compound name
1-[3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

466.1215 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.12878 210.7
[M+Na]+ 489.11072 218.1
[M-H]- 465.11422 219.7
[M+NH4]+ 484.15532 218.6
[M+K]+ 505.08466 210.1
[M+H-H2O]+ 449.11876 199.0
[M+HCOO]- 511.11970 219.9
[M+CH3COO]- 525.13535 218.7
[M+Na-2H]- 487.09617 207.8
[M]+ 466.12095 217.1
[M]- 466.12205 217.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.