CID 108182

Zacopride

Structural Information

Molecular Formula
C15H20ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CN3CCC2CC3)Cl)N
InChI
InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
InChIKey
FEROPKNOYKURCJ-UHFFFAOYSA-N
Compound name
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

207
References

2384
Patents

309.1244 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13168 168.6
[M+Na]+ 332.11362 173.1
[M-H]- 308.11712 166.5
[M+NH4]+ 327.15822 186.8
[M+K]+ 348.08756 169.1
[M+H-H2O]+ 292.12166 162.9
[M+HCOO]- 354.12260 175.4
[M+CH3COO]- 368.13825 176.9
[M+Na-2H]- 330.09907 176.1
[M]+ 309.12385 170.6
[M]- 309.12495 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe