CID 3059386

Exo-4-amino-2-methoxy-n-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)benzamide

Structural Information

Molecular Formula
C22H27N3O2
SMILES
COC1=C(C=CC(=C1)N)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C22H27N3O2/c1-27-21-11-16(23)7-10-20(21)22(26)24-17-12-18-8-9-19(13-17)25(18)14-15-5-3-2-4-6-15/h2-7,10-11,17-19H,8-9,12-14,23H2,1H3,(H,24,26)
InChIKey
DPXDCUKBGOMFJT-UHFFFAOYSA-N
Compound name
4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.21033 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21761 189.6
[M+Na]+ 388.19955 200.1
[M+NH4]+ 383.24415 197.4
[M+K]+ 404.17349 194.5
[M-H]- 364.20305 195.1
[M+Na-2H]- 386.18500 194.5
[M]+ 365.20978 192.4
[M]- 365.21088 192.4
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.