CID 457237

Chembl22040

Structural Information

Molecular Formula
C25H21Cl3N2O
SMILES
COC1=CC=C(C=C1)C(C(CC2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C25H21Cl3N2O/c1-31-22-10-5-18(6-11-22)25(30-13-12-29-16-30)23(17-2-7-20(26)8-3-17)14-19-4-9-21(27)15-24(19)28/h2-13,15-16,23,25H,14H2,1H3
InChIKey
DHVQIAVNTYIIMM-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

470.07196 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.07924 208.4
[M+Na]+ 493.06118 216.3
[M-H]- 469.06468 215.8
[M+NH4]+ 488.10578 216.4
[M+K]+ 509.03512 207.5
[M+H-H2O]+ 453.06922 196.9
[M+HCOO]- 515.07016 212.3
[M+CH3COO]- 529.08581 215.7
[M+Na-2H]- 491.04663 204.8
[M]+ 470.07141 213.6
[M]- 470.07251 213.6
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

patents stripe