CID 121036

1149-65-1

Structural Information

Molecular Formula

C₁₃H₁₉ClN₂O₂

SMILES

CN(C)CCCNC(=O)COC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H19ClN2O2/c1-16(2)9-3-8-15-13(17)10-18-12-6-4-11(14)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,15,17)

InChIKey

SHOCZPNWEOMZQE-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 270.1135 Da
Monoisotopic Mass: 2.3
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]+	271.120776	162.7
[M+Na]+	293.102718	168.5
[M-H]-	269.106224	167.2
[M+NH4]+	288.147323	180.1
[M+K]+	309.076658	165.9
[M+H-H2O]+	253.110760	156.1
[M+HCOO]-	315.111701	183.6
[M+CH3COO]-	329.127351	204.9
[M+Na-2H]-	291.088166	166.1
[M]+	270.11295142	167.8
[M]-	270.11404858	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe