CID 3075068

171261-19-1

Structural Information

Molecular Formula
C19H25FN2O
SMILES
CCCCN(C1=CC2CCC(C1)N2C)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H25FN2O/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/h5-8,12,16-17H,3-4,9-11,13H2,1-2H3
InChIKey
FPNVTFWFUHBNPU-UHFFFAOYSA-N
Compound name
N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1951 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20238 177.8
[M+Na]+ 339.18432 182.7
[M-H]- 315.18782 181.7
[M+NH4]+ 334.22892 194.6
[M+K]+ 355.15826 178.7
[M+H-H2O]+ 299.19236 168.6
[M+HCOO]- 361.19330 194.9
[M+CH3COO]- 375.20895 215.0
[M+Na-2H]- 337.16977 177.2
[M]+ 316.19455 176.8
[M]- 316.19565 176.8
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

No patent data available for this compound.