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 183.7
[M+Na]+ 338.22027 190.2
[M-H]- 314.22377 186.1
[M+NH4]+ 333.26487 199.8
[M+K]+ 354.19421 187.8
[M+H-H2O]+ 298.22831 182.0
[M+HCOO]- 360.22925 193.8
[M+CH3COO]- 374.24490 191.1
[M+Na-2H]- 336.20572 188.9
[M]+ 315.23050 181.5
[M]- 315.23160 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.