CID 3068195

Exo-2,3-dimethoxy-n-(9-benzyl-9-azabicyclo(3.2.1.)non-3-yl)benzamide hydrochloride

Structural Information

Molecular Formula
C24H30N2O3
SMILES
COC1=CC=CC(=C1OC)C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C24H30N2O3/c1-28-22-13-7-12-21(23(22)29-2)24(27)25-18-14-19-10-6-11-20(15-18)26(19)16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,25,27)
InChIKey
ZEPBXECUPSIRLM-UHFFFAOYSA-N
Compound name
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

394.22565 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23293 196.3
[M+Na]+ 417.21487 198.5
[M-H]- 393.21837 202.0
[M+NH4]+ 412.25947 206.5
[M+K]+ 433.18881 193.8
[M+H-H2O]+ 377.22291 185.1
[M+HCOO]- 439.22385 210.0
[M+CH3COO]- 453.23950 226.4
[M+Na-2H]- 415.20032 197.2
[M]+ 394.22510 193.6
[M]- 394.22620 193.6
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

patents stripe