CID 423111

67624-96-8

Structural Information

Molecular Formula

C₁₄H₂₁ClN₂O

SMILES

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

InChI

InChI=1S/C14H21ClN2O/c1-5-17(6-2)11(4)14(18)16-13-10(3)8-7-9-12(13)15/h7-9,11H,5-6H2,1-4H3,(H,16,18)

InChIKey

YNAFEFREWILTEW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 268.13425 Da
Monoisotopic Mass: 2.4
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	164.4
[M+Na]+	291.123468	170.6
[M-H]-	267.126974	169.2
[M+NH4]+	286.168073	182.2
[M+K]+	307.097408	167.7
[M+H-H2O]+	251.131510	158.3
[M+HCOO]-	313.132451	183.8
[M+CH3COO]-	327.148101	207.9
[M+Na-2H]-	289.108916	165.2
[M]+	268.13370142	168.2
[M]-	268.13479858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe