CID 217848

Brn 1654076

Structural Information

Molecular Formula
C19H29N3O
SMILES
CC1=CC(=CC(=C1C(=O)NCCN2CC3CCC(C2)CC3)C)N
InChI
InChI=1S/C19H29N3O/c1-13-9-17(20)10-14(2)18(13)19(23)21-7-8-22-11-15-3-4-16(12-22)6-5-15/h9-10,15-16H,3-8,11-12,20H2,1-2H3,(H,21,23)
InChIKey
FAHQGAUMLWVNRU-UHFFFAOYSA-N
Compound name
4-amino-N-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]-2,6-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.23105 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.238326 183.7
[M+Na]+ 338.220268 190.2
[M-H]- 314.223774 186.1
[M+NH4]+ 333.264873 199.8
[M+K]+ 354.194208 187.8
[M+H-H2O]+ 298.228310 182.0
[M+HCOO]- 360.229251 193.8
[M+CH3COO]- 374.244901 191.1
[M+Na-2H]- 336.205716 188.9
[M]+ 315.23050142 181.5
[M]- 315.23159858 181.5
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.