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 187.2
[M+Na]+ 388.19955 190.7
[M-H]- 364.20305 193.7
[M+NH4]+ 383.24415 200.4
[M+K]+ 404.17349 185.5
[M+H-H2O]+ 348.20759 177.7
[M+HCOO]- 410.20853 204.4
[M+CH3COO]- 424.22418 195.6
[M+Na-2H]- 386.18500 187.2
[M]+ 365.20978 183.5
[M]- 365.21088 183.5
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.