CID 3991630

N-1-azabicyclo(2.2.2)oct-3-yl-5-bromo-2-methoxybenzamide monohydrochloride

Structural Information

Molecular Formula
C15H19BrN2O2
SMILES
COC1=C(C=C(C=C1)Br)C(=O)NC2CN3CCC2CC3
InChI
InChI=1S/C15H19BrN2O2/c1-20-14-3-2-11(16)8-12(14)15(19)17-13-9-18-6-4-10(13)5-7-18/h2-3,8,10,13H,4-7,9H2,1H3,(H,17,19)
InChIKey
MVIZMXUBCHMMSO-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.063 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07028 168.2
[M+Na]+ 361.05222 169.3
[M+NH4]+ 356.09682 173.9
[M+K]+ 377.02616 168.3
[M-H]- 337.05572 166.9
[M+Na-2H]- 359.03767 165.0
[M]+ 338.06245 166.6
[M]- 338.06355 166.6
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.