CID 202822

13385-09-6

Structural Information

Molecular Formula

C₁₈H₂₀ClNO₂

SMILES

CC(CC1=CC=CC=C1)N(C)C(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClNO2/c1-14(12-15-6-4-3-5-7-15)20(2)18(21)13-22-17-10-8-16(19)9-11-17/h3-11,14H,12-13H2,1-2H3

InChIKey

OPKXKBSMMAECPR-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)-N-methyl-N-(1-phenylpropan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 317.11826 Da
Monoisotopic Mass: 4.4
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]+	318.125536	174.6
[M+Na]+	340.107478	180.2
[M-H]-	316.110984	181.9
[M+NH4]+	335.152083	189.8
[M+K]+	356.081418	176.3
[M+H-H2O]+	300.115520	166.8
[M+HCOO]-	362.116461	193.3
[M+CH3COO]-	376.132111	211.3
[M+Na-2H]-	338.092926	176.5
[M]+	317.11771142	179.2
[M]-	317.11880858	179.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe