CID 169501906

Hydroxymetoclopramide

Structural Information

Molecular Formula

C₁₄H₂₂ClN₃O₃

SMILES

CCN(CC)CCNC(=O)C1=CC(=C(C(=C1OC)O)N)Cl

InChI

InChI=1S/C14H22ClN3O3/c1-4-18(5-2)7-6-17-14(20)9-8-10(15)11(16)12(19)13(9)21-3/h8,19H,4-7,16H2,1-3H3,(H,17,20)

InChIKey

HZXPSGKWZRSOCC-UHFFFAOYSA-N

Compound name

4-amino-5-chloro-N-[2-(diethylamino)ethyl]-3-hydroxy-2-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 315.13498 Da
Monoisotopic Mass: 2.0
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]+	316.142256	174.5
[M+Na]+	338.124198	181.2
[M-H]-	314.127704	177.9
[M+NH4]+	333.168803	189.5
[M+K]+	354.098138	178.1
[M+H-H2O]+	298.132240	168.2
[M+HCOO]-	360.133181	194.1
[M+CH3COO]-	374.148831	216.0
[M+Na-2H]-	336.109646	174.0
[M]+	315.13443142	178.9
[M]-	315.13552858	178.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.