CID 3007507

Chembl30138

Structural Information

Molecular Formula

C₂₂H₂₃ClN₂O₂

SMILES

CC(=C(C1=CC=CC=C1OCCCOC2=CC=C(C=C2)Cl)N3C=CN=C3)C

InChI

InChI=1S/C22H23ClN2O2/c1-17(2)22(25-13-12-24-16-25)20-6-3-4-7-21(20)27-15-5-14-26-19-10-8-18(23)9-11-19/h3-4,6-13,16H,5,14-15H2,1-2H3

InChIKey

JFOVESGGJQMCCK-UHFFFAOYSA-N

Compound name

1-[1-[2-[3-(4-chlorophenoxy)propoxy]phenyl]-2-methylprop-1-enyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 382.1448 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	383.152076	192.6
[M+Na]+	405.134018	198.9
[M-H]-	381.137524	199.0
[M+NH4]+	400.178623	203.6
[M+K]+	421.107958	192.3
[M+H-H2O]+	365.142060	182.0
[M+HCOO]-	427.143001	207.6
[M+CH3COO]-	441.158651	216.8
[M+Na-2H]-	403.119466	191.7
[M]+	382.14425142	197.3
[M]-	382.14534858	197.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.