CID 487074

Schembl11495874

Structural Information

Molecular Formula
C24H20Cl2N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O/c25-21-10-11-22(23(26)14-21)24(15-28-13-12-27-17-28)29-16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-14,17,24H,15-16H2
InChIKey
UOPYUOMFMOGFLM-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

422.09528 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.10256 200.3
[M+Na]+ 445.08450 208.2
[M-H]- 421.08800 208.9
[M+NH4]+ 440.12910 209.8
[M+K]+ 461.05844 199.2
[M+H-H2O]+ 405.09254 188.5
[M+HCOO]- 467.09348 210.9
[M+CH3COO]- 481.10913 208.9
[M+Na-2H]- 443.06995 199.8
[M]+ 422.09473 204.7
[M]- 422.09583 204.7
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