CID 3068183

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

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CCOC1=C(C=CC=C1OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C24H30N2O3/c1-3-29-23-21(10-7-11-22(23)28-2)24(27)25-18-14-19-12-13-20(15-18)26(19)16-17-8-5-4-6-9-17/h4-11,18-20H,3,12-16H2,1-2H3,(H,25,27)
InChIKey
JVVKYFRUPGYNLQ-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-ethoxy-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 196.6
[M+Na]+ 417.21487 199.8
[M-H]- 393.21837 203.1
[M+NH4]+ 412.25947 209.0
[M+K]+ 433.18881 195.0
[M+H-H2O]+ 377.22291 186.7
[M+HCOO]- 439.22385 212.8
[M+CH3COO]- 453.23950 225.6
[M+Na-2H]- 415.20032 195.7
[M]+ 394.22510 196.3
[M]- 394.22620 196.3
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.