CID 3075074

171261-26-0

Structural Information

Molecular Formula
C19H28N2O
SMILES
CCCCN(C1CC2CCC(C1)N2C)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H28N2O/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/h5-9,16-18H,3-4,10-14H2,1-2H3
InChIKey
MVJFUGXQQYWIDN-UHFFFAOYSA-N
Compound name
N-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 175.8
[M+Na]+ 323.20937 178.7
[M-H]- 299.21287 180.3
[M+NH4]+ 318.25397 193.0
[M+K]+ 339.18331 175.4
[M+H-H2O]+ 283.21741 167.3
[M+HCOO]- 345.21835 192.6
[M+CH3COO]- 359.23400 211.6
[M+Na-2H]- 321.19482 175.6
[M]+ 300.21960 174.1
[M]- 300.22070 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.