CID 28805279

1049604-75-2

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O₃

SMILES

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CCl

InChI

InChI=1S/C14H19ClN2O3/c1-3-8-17(14(19)9-15)10-13(18)16-11-6-4-5-7-12(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)

InChIKey

NXCZZJXJRNCFHV-UHFFFAOYSA-N

Compound name

2-[(2-chloroacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.10843 Da
Monoisotopic Mass: 2.1
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]+	299.115706	169.0
[M+Na]+	321.097648	174.5
[M-H]-	297.101154	173.5
[M+NH4]+	316.142253	185.1
[M+K]+	337.071588	172.1
[M+H-H2O]+	281.105690	162.3
[M+HCOO]-	343.106631	189.1
[M+CH3COO]-	357.122281	209.3
[M+Na-2H]-	319.083096	170.8
[M]+	298.10788142	174.6
[M]-	298.10897858	174.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.