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 174.6
[M+Na]+ 321.19372 178.5
[M-H]- 297.19722 179.5
[M+NH4]+ 316.23832 191.9
[M+K]+ 337.16766 175.0
[M+H-H2O]+ 281.20176 166.1
[M+HCOO]- 343.20270 192.9
[M+CH3COO]- 357.21835 211.2
[M+Na-2H]- 319.17917 175.3
[M]+ 298.20395 174.3
[M]- 298.20505 174.3
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.