CID 3075076

171261-27-1

Structural Information

Molecular Formula
C19H27FN2O
SMILES
CCCCN(C1CC2CCC(C1)N2C)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H27FN2O/c1-3-4-11-22(19(23)14-5-7-15(20)8-6-14)18-12-16-9-10-17(13-18)21(16)2/h5-8,16-18H,3-4,9-13H2,1-2H3
InChIKey
IIVNAMSBBQUJCZ-UHFFFAOYSA-N
Compound name
N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.21075 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21803 178.8
[M+Na]+ 341.19997 187.8
[M+NH4]+ 336.24457 186.5
[M+K]+ 357.17391 182.4
[M-H]- 317.20347 180.5
[M+Na-2H]- 339.18542 181.1
[M]+ 318.21020 180.2
[M]- 318.21130 180.2
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.