CID 3068187

Exo-3,5-dimethoxy-2-ethoxy-n-(8-benzyl-8-azabicyclo(3.2.1)oct-3-yl)benzamide hydrochloride

Structural Information

Molecular Formula
C25H32N2O4
SMILES
CCOC1=C(C=C(C=C1OC)OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C25H32N2O4/c1-4-31-24-22(14-21(29-2)15-23(24)30-3)25(28)26-18-12-19-10-11-20(13-18)27(19)16-17-8-6-5-7-9-17/h5-9,14-15,18-20H,4,10-13,16H2,1-3H3,(H,26,28)
InChIKey
VKTJUHYXPBCQCL-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-ethoxy-3,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.2362 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.243476 204.1
[M+Na]+ 447.225418 207.4
[M-H]- 423.228924 210.8
[M+NH4]+ 442.270023 215.4
[M+K]+ 463.199358 203.3
[M+H-H2O]+ 407.233460 194.1
[M+HCOO]- 469.234401 220.0
[M+CH3COO]- 483.250051 232.0
[M+Na-2H]- 445.210866 202.3
[M]+ 424.23565142 206.0
[M]- 424.23674858 206.0
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.