CID 13272338

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

Structural Information

Molecular Formula
C15H19FN2O2
SMILES
COC1=C(C=C(C=C1)F)C(=O)NC2CN3CCC2CC3
InChI
InChI=1S/C15H19FN2O2/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
LTOBYSGFQRWDCB-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

278.14307 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15035 160.8
[M+Na]+ 301.13229 164.3
[M-H]- 277.13579 157.7
[M+NH4]+ 296.17689 179.5
[M+K]+ 317.10623 161.2
[M+H-H2O]+ 261.14033 152.8
[M+HCOO]- 323.14127 170.5
[M+CH3COO]- 337.15692 169.2
[M+Na-2H]- 299.11774 169.1
[M]+ 278.14252 160.5
[M]- 278.14362 160.5
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

patents stripe