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

450
Patents

323.14005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14733 172.3
[M+Na]+ 346.12927 176.2
[M-H]- 322.13277 170.3
[M+NH4]+ 341.17387 190.1
[M+K]+ 362.10321 172.3
[M+H-H2O]+ 306.13731 166.2
[M+HCOO]- 368.13825 179.3
[M+CH3COO]- 382.15390 180.3
[M+Na-2H]- 344.11472 180.2
[M]+ 323.13950 175.4
[M]- 323.14060 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.