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]+ 316.23833 163.9
[M+Na]+ 338.22027 168.0
[M+NH4]+ 333.26487 169.8
[M+K]+ 354.19421 165.5
[M-H]- 314.22377 163.3
[M+Na-2H]- 336.20572 162.5
[M]+ 315.23050 164.1
[M]- 315.23160 164.1
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.