CID 3047745

Mezacopride

Structural Information

Molecular Formula

C₁₆H₂₂ClN₃O₂

SMILES

CNC1=C(C=C(C(=C1)OC)C(=O)NC2CN3CCC2CC3)Cl

InChI

InChI=1S/C16H22ClN3O2/c1-18-13-8-15(22-2)11(7-12(13)17)16(21)19-14-9-20-5-3-10(14)4-6-20/h7-8,10,14,18H,3-6,9H2,1-2H3,(H,19,21)

InChIKey

DYMNHNMNXIHEHH-UHFFFAOYSA-N

Compound name

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 454
Patents: 323.14005 Da
Monoisotopic Mass: 2.4
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]+	324.147326	172.3
[M+Na]+	346.129268	176.2
[M-H]-	322.132774	170.3
[M+NH4]+	341.173873	190.1
[M+K]+	362.103208	172.3
[M+H-H2O]+	306.137310	166.2
[M+HCOO]-	368.138251	179.3
[M+CH3COO]-	382.153901	180.3
[M+Na-2H]-	344.114716	180.2
[M]+	323.13950142	175.4
[M]-	323.14059858	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe