CID 120366

4-morpholinebutyranilide, 2'-chloro-5'-ethyl-

Structural Information

Molecular Formula

C₁₆H₂₃ClN₂O₂

SMILES

CCC1=CC(=C(C=C1)Cl)NC(=O)CCCN2CCOCC2

InChI

InChI=1S/C16H23ClN2O2/c1-2-13-5-6-14(17)15(12-13)18-16(20)4-3-7-19-8-10-21-11-9-19/h5-6,12H,2-4,7-11H2,1H3,(H,18,20)

InChIKey

HPYCCASBJHZFNR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.1448 Da
Monoisotopic Mass: 2.5
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	175.3
[M+Na]+	333.134018	179.7
[M-H]-	309.137524	179.8
[M+NH4]+	328.178623	187.6
[M+K]+	349.107958	175.9
[M+H-H2O]+	293.142060	166.8
[M+HCOO]-	355.143001	188.4
[M+CH3COO]-	369.158651	206.1
[M+Na-2H]-	331.119466	177.2
[M]+	310.14425142	175.5
[M]-	310.14534858	175.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.