CID 3277229

N-1-azabicyclo(2.2.2)oct-3-yl-3-fluorobenzamide ethanedioate (1:1)

Structural Information

Molecular Formula
C14H17FN2O
SMILES
C1CN2CCC1C(C2)NC(=O)C3=CC(=CC=C3)F
InChI
InChI=1S/C14H17FN2O/c15-12-3-1-2-11(8-12)14(18)16-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,13H,4-7,9H2,(H,16,18)
InChIKey
ZESZCCPSSKKGLT-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

248.13249 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13977 152.2
[M+Na]+ 271.12171 155.5
[M-H]- 247.12521 149.1
[M+NH4]+ 266.16631 171.9
[M+K]+ 287.09565 151.9
[M+H-H2O]+ 231.12975 144.3
[M+HCOO]- 293.13069 162.3
[M+CH3COO]- 307.14634 161.0
[M+Na-2H]- 269.10716 161.6
[M]+ 248.13194 149.8
[M]- 248.13304 149.8
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