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]+ 301.227426 175.8
[M+Na]+ 323.209368 178.7
[M-H]- 299.212874 180.3
[M+NH4]+ 318.253973 193.0
[M+K]+ 339.183308 175.4
[M+H-H2O]+ 283.217410 167.3
[M+HCOO]- 345.218351 192.6
[M+CH3COO]- 359.234001 211.6
[M+Na-2H]- 321.194816 175.6
[M]+ 300.21960142 174.1
[M]- 300.22069858 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.