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]+ 425.24348 204.1
[M+Na]+ 447.22542 207.4
[M-H]- 423.22892 210.8
[M+NH4]+ 442.27002 215.4
[M+K]+ 463.19936 203.3
[M+H-H2O]+ 407.23346 194.1
[M+HCOO]- 469.23440 220.0
[M+CH3COO]- 483.25005 232.0
[M+Na-2H]- 445.21087 202.3
[M]+ 424.23565 206.0
[M]- 424.23675 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.