CID 65659

Befol

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O₂

SMILES

C1COCCN1CCCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H19ClN2O2/c15-13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-19-11-9-17/h2-5H,1,6-11H2,(H,16,18)

InChIKey

YYFGRAGNYHYWEZ-UHFFFAOYSA-N

Compound name

4-chloro-N-(3-morpholin-4-ylpropyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 27
References: 920
Patents: 282.1135 Da
Monoisotopic Mass: 1.8
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]+	283.12078	165.8
[M+Na]+	305.10272	170.1
[M-H]-	281.10622	170.2
[M+NH4]+	300.14732	178.9
[M+K]+	321.07666	166.7
[M+H-H2O]+	265.11076	157.5
[M+HCOO]-	327.11170	179.6
[M+CH3COO]-	341.12735	198.9
[M+Na-2H]-	303.08817	169.5
[M]+	282.11295	164.9
[M]-	282.11405	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe