CID 9817332

O-desmethyl metoclopramide

Structural Information

Molecular Formula

C₁₃H₂₀ClN₃O₂

SMILES

CCN(CC)CCNC(=O)C1=CC(=C(C=C1O)N)Cl

InChI

InChI=1S/C13H20ClN3O2/c1-3-17(4-2)6-5-16-13(19)9-7-10(14)11(15)8-12(9)18/h7-8,18H,3-6,15H2,1-2H3,(H,16,19)

InChIKey

HPSMMIJTHMWCGC-UHFFFAOYSA-N

Compound name

4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 41
Patents: 285.1244 Da
Monoisotopic Mass: 2.8
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]+	286.13168	166.3
[M+Na]+	308.11362	175.6
[M+NH4]+	303.15822	172.6
[M+K]+	324.08756	170.3
[M-H]-	284.11712	168.5
[M+Na-2H]-	306.09907	170.1
[M]+	285.12385	168.1
[M]-	285.12495	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe