CID 172419501

Acetyl hydroxy ser

Structural Information

Molecular Formula

C₁₈H₁₇Cl₂NO₂

SMILES

CC(=O)NC1CC(C(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C18H17Cl2NO2/c1-10(22)21-16-9-17(23)18(13-5-3-2-4-12(13)16)11-6-7-14(19)15(20)8-11/h2-8,16-18,23H,9H2,1H3,(H,21,22)

InChIKey

AFPFWOFZCHEAOF-UHFFFAOYSA-N

Compound name

N-[4-(3,4-dichlorophenyl)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.06363 Da
Monoisotopic Mass: 3.6
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]+	350.070906	177.7
[M+Na]+	372.052848	186.4
[M-H]-	348.056354	183.2
[M+NH4]+	367.097453	192.7
[M+K]+	388.026788	179.0
[M+H-H2O]+	332.060890	172.0
[M+HCOO]-	394.061831	187.2
[M+CH3COO]-	408.077481	187.8
[M+Na-2H]-	370.038296	178.8
[M]+	349.06308142	178.9
[M]-	349.06417858	178.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.