CID 3017607

65513-61-3

Structural Information

Molecular Formula

C₁₄H₂₀ClNO₂

SMILES

CCC1=CC=CC(=C1N(C(C)CO)C(=O)CCl)C

InChI

InChI=1S/C14H20ClNO2/c1-4-12-7-5-6-10(2)14(12)16(11(3)9-17)13(18)8-15/h5-7,11,17H,4,8-9H2,1-3H3

InChIKey

RNRZTRIOAPZEME-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 269.11826 Da
Monoisotopic Mass: 2.6
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]+	270.125536	162.1
[M+Na]+	292.107478	168.7
[M-H]-	268.110984	165.6
[M+NH4]+	287.152083	179.5
[M+K]+	308.081418	165.5
[M+H-H2O]+	252.115520	156.6
[M+HCOO]-	314.116461	179.3
[M+CH3COO]-	328.132111	202.4
[M+Na-2H]-	290.092926	162.4
[M]+	269.11771142	166.2
[M]-	269.11880858	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe