CID 3006904

Chembl3305288

Structural Information

Molecular Formula
C20H20Cl2N2O
SMILES
COC1=CC=C(C=C1)CCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H20Cl2N2O/c1-25-18-7-3-15(4-8-18)2-5-16(13-24-11-10-23-14-24)19-9-6-17(21)12-20(19)22/h3-4,6-12,14,16H,2,5,13H2,1H3
InChIKey
HUMWHKJTXYOYLK-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)butyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.09528 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10256 187.5
[M+Na]+ 397.08450 196.1
[M-H]- 373.08800 193.5
[M+NH4]+ 392.12910 199.8
[M+K]+ 413.05844 188.2
[M+H-H2O]+ 357.09254 177.5
[M+HCOO]- 419.09348 198.4
[M+CH3COO]- 433.10913 197.2
[M+Na-2H]- 395.06995 187.1
[M]+ 374.09473 193.0
[M]- 374.09583 193.0
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.