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 169.7
[M+Na]+ 361.05222 175.5
[M-H]- 337.05572 170.4
[M+NH4]+ 356.09682 189.3
[M+K]+ 377.02616 165.5
[M+H-H2O]+ 321.06026 168.7
[M+HCOO]- 383.06120 178.5
[M+CH3COO]- 397.07685 179.6
[M+Na-2H]- 359.03767 178.7
[M]+ 338.06245 188.2
[M]- 338.06355 188.2
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.