CID 5274424

Chembl180169

Structural Information

Molecular Formula

C₁₄H₁₈ClNO₂

SMILES

C1CCC(CC1)CC(=O)N(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C14H18ClNO2/c15-12-6-8-13(9-7-12)16(18)14(17)10-11-4-2-1-3-5-11/h6-9,11,18H,1-5,10H2

InChIKey

TXQSZRZTWKJYKQ-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-2-cyclohexyl-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 267.1026 Da
Monoisotopic Mass: 4.1
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]+	268.10988	160.4
[M+Na]+	290.09182	164.5
[M-H]-	266.09532	165.9
[M+NH4]+	285.13642	176.8
[M+K]+	306.06576	160.8
[M+H-H2O]+	250.09986	153.7
[M+HCOO]-	312.10080	175.6
[M+CH3COO]-	326.11645	197.1
[M+Na-2H]-	288.07727	162.2
[M]+	267.10205	158.0
[M]-	267.10315	158.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.