CID 460744

Afk-122

Structural Information

Molecular Formula

C₁₆H₁₈Cl₂N₂O

SMILES

CC(=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl)C

InChI

InChI=1S/C16H18Cl2N2O/c1-12(2)5-8-21-16(10-20-7-6-19-11-20)14-4-3-13(17)9-15(14)18/h3-7,9,11,16H,8,10H2,1-2H3

InChIKey

MUKDARXQHNSTDG-UHFFFAOYSA-N

Compound name

1-[2-(2,4-dichlorophenyl)-2-(3-methylbut-2-enoxy)ethyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 324.07962 Da
Monoisotopic Mass: 4.7
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]+	325.08690	174.1
[M+Na]+	347.06884	182.3
[M-H]-	323.07234	177.1
[M+NH4]+	342.11344	188.6
[M+K]+	363.04278	175.7
[M+H-H2O]+	307.07688	165.9
[M+HCOO]-	369.07782	184.4
[M+CH3COO]-	383.09347	205.6
[M+Na-2H]-	345.05429	173.3
[M]+	324.07907	178.8
[M]-	324.08017	178.8

Literature stripe

literature stripe

Patent stripe

patents stripe