CID 3071302

Acetamide, 2-(4-chlorophenoxy)-n-(3-(hexahydro-1h-azepin-1-yl)propyl)-, monohydrochloride

Structural Information

Molecular Formula

C₁₇H₂₅ClN₂O₂

SMILES

C1CCCN(CC1)CCCNC(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H25ClN2O2/c18-15-6-8-16(9-7-15)22-14-17(21)19-10-5-13-20-11-3-1-2-4-12-20/h6-9H,1-5,10-14H2,(H,19,21)

InChIKey

JFPIUILHYYOYEH-UHFFFAOYSA-N

Compound name

N-[3-(azepan-1-yl)propyl]-2-(4-chlorophenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.16046 Da
Monoisotopic Mass: 3.5
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]+	325.167736	174.4
[M+Na]+	347.149678	176.8
[M-H]-	323.153184	178.8
[M+NH4]+	342.194283	186.5
[M+K]+	363.123618	177.0
[M+H-H2O]+	307.157720	165.6
[M+HCOO]-	369.158661	188.1
[M+CH3COO]-	383.174311	208.0
[M+Na-2H]-	345.135126	175.9
[M]+	324.15991142	170.9
[M]-	324.16100858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.