CID 2837548

N-butyl-n-(8-methyl-8-azabicyclo(3.2.1)oct-2-en-3-yl)benzamide monohydrochloride

Structural Information

Molecular Formula
C19H26N2O
SMILES
CCCCN(C1=CC2CCC(C1)N2C)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H26N2O/c1-3-4-12-21(19(22)15-8-6-5-7-9-15)18-13-16-10-11-17(14-18)20(16)2/h5-9,13,16-17H,3-4,10-12,14H2,1-2H3
InChIKey
ZHNFHDHZGDOFNK-UHFFFAOYSA-N
Compound name
N-butyl-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

298.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 173.7
[M+Na]+ 321.19372 184.4
[M+NH4]+ 316.23832 182.4
[M+K]+ 337.16766 178.5
[M-H]- 297.19722 177.3
[M+Na-2H]- 319.17917 178.0
[M]+ 298.20395 176.1
[M]- 298.20505 176.1
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.