CID 3006853

58831-32-6

Structural Information

Molecular Formula

C₁₅H₁₈Cl₂N₂

SMILES

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

InChI

InChI=1S/C15H18Cl2N2/c1-11(2)7-12(9-19-6-5-18-10-19)14-4-3-13(16)8-15(14)17/h3-6,8,10-12H,7,9H2,1-2H3

InChIKey

GIYLZLCOEOKOKE-UHFFFAOYSA-N

Compound name

1-[2-(2,4-dichlorophenyl)-4-methylpentyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 296.08472 Da
Monoisotopic Mass: 4.6
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]+	297.09200	167.3
[M+Na]+	319.07394	175.7
[M-H]-	295.07744	170.2
[M+NH4]+	314.11854	183.0
[M+K]+	335.04788	169.2
[M+H-H2O]+	279.08198	159.2
[M+HCOO]-	341.08292	177.5
[M+CH3COO]-	355.09857	202.3
[M+Na-2H]-	317.05939	167.0
[M]+	296.08417	171.0
[M]-	296.08527	171.0

Literature stripe

literature stripe

Patent stripe

patents stripe