CID 24843826

C 3118

Structural Information

Molecular Formula

C₁₄H₂₁ClN₂O

SMILES

CCN(CC)CCC(=O)NC1=C(C=CC=C1Cl)C

InChI

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

InChIKey

AKKIJLMPLOUJJT-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-3-(diethylamino)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.13425 Da
Monoisotopic Mass: 1.9
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	164.5
[M+Na]+	291.123468	170.9
[M-H]-	267.126974	169.1
[M+NH4]+	286.168073	182.3
[M+K]+	307.097408	167.4
[M+H-H2O]+	251.131510	158.2
[M+HCOO]-	313.132451	184.8
[M+CH3COO]-	327.148101	207.0
[M+Na-2H]-	289.108916	166.5
[M]+	268.13370142	168.8
[M]-	268.13479858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe