CID 24847644

102584-97-4

Structural Information

Molecular Formula

C₁₄H₂₁ClN₂O

SMILES

CCCC(C(=O)NC1=C(C=CC=C1Cl)C)NCC

InChI

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

InChIKey

UXXCWZAAKYFVLU-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-2-(ethylamino)pentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.13425 Da
Monoisotopic Mass: 2.5
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]+	269.141526	164.7
[M+Na]+	291.123468	170.7
[M-H]-	267.126974	167.9
[M+NH4]+	286.168073	181.8
[M+K]+	307.097408	166.4
[M+H-H2O]+	251.131510	158.7
[M+HCOO]-	313.132451	183.5
[M+CH3COO]-	327.148101	204.5
[M+Na-2H]-	289.108916	166.2
[M]+	268.13370142	167.1
[M]-	268.13479858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe