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 179.1
[M+Na]+ 341.19997 183.0
[M-H]- 317.20347 182.5
[M+NH4]+ 336.24457 195.7
[M+K]+ 357.17391 179.2
[M+H-H2O]+ 301.20801 169.8
[M+HCOO]- 363.20895 194.7
[M+CH3COO]- 377.22460 215.4
[M+Na-2H]- 339.18542 177.5
[M]+ 318.21020 176.6
[M]- 318.21130 176.6
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.