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
1
Annotation Hits

0
References

454
Patents

323.14005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.