CID 3006877

Chembl3305454

Structural Information

Molecular Formula
C20H20Cl2N2O
SMILES
C1=CC=C(C=C1)OCCCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H20Cl2N2O/c21-17-8-9-19(20(22)13-17)16(14-24-11-10-23-15-24)5-4-12-25-18-6-2-1-3-7-18/h1-3,6-11,13,15-16H,4-5,12,14H2
InChIKey
MUOQKTIAFZRZKC-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-5-phenoxypentyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.09528 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10256 187.4
[M+Na]+ 397.08450 195.0
[M-H]- 373.08800 192.8
[M+NH4]+ 392.12910 199.2
[M+K]+ 413.05844 187.1
[M+H-H2O]+ 357.09254 177.0
[M+HCOO]- 419.09348 198.2
[M+CH3COO]- 433.10913 196.6
[M+Na-2H]- 395.06995 187.7
[M]+ 374.09473 192.4
[M]- 374.09583 192.4
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.