CID 3068209

3-beta-(2,3-diethoxybenzoyl)amino 8-benzyl nor-tropane hydrochloride

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CCOC1=CC=CC(=C1OCC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C25H32N2O3/c1-3-29-23-12-8-11-22(24(23)30-4-2)25(28)26-19-15-20-13-14-21(16-19)27(20)17-18-9-6-5-7-10-18/h5-12,19-21H,3-4,13-17H2,1-2H3,(H,26,28)
InChIKey
XTDKPKFUIGWIKQ-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2413 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.248576 201.1
[M+Na]+ 431.230518 203.7
[M-H]- 407.234024 207.4
[M+NH4]+ 426.275123 212.8
[M+K]+ 447.204458 198.7
[M+H-H2O]+ 391.238560 190.9
[M+HCOO]- 453.239501 216.8
[M+CH3COO]- 467.255151 228.5
[M+Na-2H]- 429.215966 199.6
[M]+ 408.24075142 201.1
[M]- 408.24184858 201.1
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.