CID 169501962

Metoclopramidehydroxylamine

Structural Information

Molecular Formula

C₁₄H₂₈ClN₃O₃

SMILES

CCN(CC)CCNC(=O)C1CC(C(CC1OC)NO)Cl

InChI

InChI=1S/C14H28ClN3O3/c1-4-18(5-2)7-6-16-14(19)10-8-11(15)12(17-20)9-13(10)21-3/h10-13,17,20H,4-9H2,1-3H3,(H,16,19)

InChIKey

BHVCGDOBSZJQOX-UHFFFAOYSA-N

Compound name

5-chloro-N-[2-(diethylamino)ethyl]-4-(hydroxyamino)-2-methoxycyclohexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 321.18192 Da
Monoisotopic Mass: 0.5
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]+	322.189196	177.6
[M+Na]+	344.171138	180.4
[M-H]-	320.174644	180.0
[M+NH4]+	339.215743	192.1
[M+K]+	360.145078	178.1
[M+H-H2O]+	304.179180	171.3
[M+HCOO]-	366.180121	193.5
[M+CH3COO]-	380.195771	216.4
[M+Na-2H]-	342.156586	176.2
[M]+	321.18137142	178.3
[M]-	321.18246858	178.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.