CID 3298049

85473-17-2

Structural Information

Molecular Formula

C₁₇H₂₂Cl₂N₂O

SMILES

CCCCCCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C17H22Cl2N2O/c1-2-3-4-5-8-17(22,12-21-10-9-20-13-21)15-7-6-14(18)11-16(15)19/h6-7,9-11,13,22H,2-5,8,12H2,1H3

InChIKey

WJBNLGBHMWNHRZ-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenyl)-1-imidazol-1-yloctan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 340.11093 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]+	341.118206	181.2
[M+Na]+	363.100148	189.1
[M-H]-	339.103654	182.7
[M+NH4]+	358.144753	194.6
[M+K]+	379.074088	181.5
[M+H-H2O]+	323.108190	173.2
[M+HCOO]-	385.109131	189.7
[M+CH3COO]-	399.124781	206.2
[M+Na-2H]-	361.085596	182.4
[M]+	340.11038142	185.7
[M]-	340.11147858	185.7

Literature stripe

literature stripe

Patent stripe

patents stripe