CID 58127

100915-63-7

Structural Information

Molecular Formula

C₁₄H₂₁ClN₂O

SMILES

CCN(CC)C(C)CC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H21ClN2O/c1-4-17(5-2)11(3)10-14(18)16-13-8-6-12(15)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,16,18)

InChIKey

KIMNHXPDPHOUJS-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-3-(diethylamino)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.13425 Da
Monoisotopic Mass: 2.9
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]+	269.141526	164.9
[M+Na]+	291.123468	170.1
[M-H]-	267.126974	169.2
[M+NH4]+	286.168073	182.3
[M+K]+	307.097408	167.1
[M+H-H2O]+	251.131510	158.5
[M+HCOO]-	313.132451	184.2
[M+CH3COO]-	327.148101	206.7
[M+Na-2H]-	289.108916	166.4
[M]+	268.13370142	168.3
[M]-	268.13479858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.