CID 3006881

Chembl3304614

Structural Information

Molecular Formula
C21H22Cl2N2O2
SMILES
COC1=CC=C(C=C1)OCCCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H22Cl2N2O2/c1-26-18-5-7-19(8-6-18)27-12-2-3-16(14-25-11-10-24-15-25)20-9-4-17(22)13-21(20)23/h4-11,13,15-16H,2-3,12,14H2,1H3
InChIKey
LPKGZNSPYVYLGM-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-5-(4-methoxyphenoxy)pentyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.10583 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11311 194.4
[M+Na]+ 427.09505 202.3
[M-H]- 403.09855 200.3
[M+NH4]+ 422.13965 205.4
[M+K]+ 443.06899 195.0
[M+H-H2O]+ 387.10309 184.1
[M+HCOO]- 449.10403 205.2
[M+CH3COO]- 463.11968 219.5
[M+Na-2H]- 425.08050 193.6
[M]+ 404.10528 201.6
[M]- 404.10638 201.6
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

No patent data available for this compound.