CID 669179

3-chloro-n-[2-(morpholin-4-yl)ethyl]benzamide

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O₂

SMILES

C1COCCN1CCNC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H17ClN2O2/c14-12-3-1-2-11(10-12)13(17)15-4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17)

InChIKey

BUBMOYZWKAXWQP-UHFFFAOYSA-N

Compound name

3-chloro-N-(2-morpholin-4-ylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 268.09787 Da
Monoisotopic Mass: 1.5
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]+	269.105146	161.2
[M+Na]+	291.087088	166.0
[M-H]-	267.090594	165.9
[M+NH4]+	286.131693	174.9
[M+K]+	307.061028	162.9
[M+H-H2O]+	251.095130	153.2
[M+HCOO]-	313.096071	175.4
[M+CH3COO]-	327.111721	195.9
[M+Na-2H]-	289.072536	165.5
[M]+	268.09732142	160.0
[M]-	268.09841858	160.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.