CID 3006876

Chembl3305453

Structural Information

Molecular Formula
C20H20Cl2N2O2
SMILES
COC1=CC=C(C=C1)OCCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H20Cl2N2O2/c1-25-17-3-5-18(6-4-17)26-11-8-15(13-24-10-9-23-14-24)19-7-2-16(21)12-20(19)22/h2-7,9-10,12,14-15H,8,11,13H2,1H3
InChIKey
GDYDLLKADJTOPS-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-4-(4-methoxyphenoxy)butyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.09018 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.09746 190.0
[M+Na]+ 413.07940 198.3
[M-H]- 389.08290 196.0
[M+NH4]+ 408.12400 201.5
[M+K]+ 429.05334 191.2
[M+H-H2O]+ 373.08744 179.8
[M+HCOO]- 435.08838 201.1
[M+CH3COO]- 449.10403 199.5
[M+Na-2H]- 411.06485 189.7
[M]+ 390.08963 196.8
[M]- 390.09073 196.8
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.