CID 46783606

Clencyclohexerol

Structural Information

Molecular Formula

C₁₄H₂₀Cl₂N₂O₂

SMILES

C1CC(CCC1NCC(C2=CC(=C(C(=C2)Cl)N)Cl)O)O

InChI

InChI=1S/C14H20Cl2N2O2/c15-11-5-8(6-12(16)14(11)17)13(20)7-18-9-1-3-10(19)4-2-9/h5-6,9-10,13,18-20H,1-4,7,17H2

InChIKey

DKFLKXDTRUWFDL-UHFFFAOYSA-N

Compound name

4-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 318.09018 Da
Monoisotopic Mass: 1.9
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]+	319.097456	171.6
[M+Na]+	341.079398	177.2
[M-H]-	317.082904	174.0
[M+NH4]+	336.124003	185.4
[M+K]+	357.053338	170.5
[M+H-H2O]+	301.087440	166.8
[M+HCOO]-	363.088381	180.1
[M+CH3COO]-	377.104031	205.6
[M+Na-2H]-	339.064846	170.3
[M]+	318.08963142	167.9
[M]-	318.09072858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe