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]+ 299.211776 174.6
[M+Na]+ 321.193718 178.5
[M-H]- 297.197224 179.5
[M+NH4]+ 316.238323 191.9
[M+K]+ 337.167658 175.0
[M+H-H2O]+ 281.201760 166.1
[M+HCOO]- 343.202701 192.9
[M+CH3COO]- 357.218351 211.2
[M+Na-2H]- 319.179166 175.3
[M]+ 298.20395142 174.3
[M]- 298.20504858 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.