CID 120778

738-52-3

Structural Information

Molecular Formula

C₁₆H₂₃ClN₂O₂

SMILES

CCC1=CC(=C(C=C1)Cl)NC(=O)CC(C)N2CCOCC2

InChI

InChI=1S/C16H23ClN2O2/c1-3-13-4-5-14(17)15(11-13)18-16(20)10-12(2)19-6-8-21-9-7-19/h4-5,11-12H,3,6-10H2,1-2H3,(H,18,20)

InChIKey

WLYRSDXTWVWFEJ-UHFFFAOYSA-N

Compound name

N-(2-chloro-5-ethylphenyl)-3-morpholin-4-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.1448 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]+	311.152076	175.2
[M+Na]+	333.134018	179.4
[M-H]-	309.137524	179.8
[M+NH4]+	328.178623	187.5
[M+K]+	349.107958	176.1
[M+H-H2O]+	293.142060	167.0
[M+HCOO]-	355.143001	187.3
[M+CH3COO]-	369.158651	207.0
[M+Na-2H]-	331.119466	176.0
[M]+	310.14425142	174.9
[M]-	310.14534858	174.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.