CID 3068205

Exo-n-(8-(4-cyanobenzyl)-8-azabicyclo(3.2.1)oct-3-yl)-2,3-dimethyoxybenzamide hydrochloride

Structural Information

Molecular Formula
C24H27N3O3
SMILES
COC1=CC=CC(=C1OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=C(C=C4)C#N
InChI
InChI=1S/C24H27N3O3/c1-29-22-5-3-4-21(23(22)30-2)24(28)26-18-12-19-10-11-20(13-18)27(19)15-17-8-6-16(14-25)7-9-17/h3-9,18-20H,10-13,15H2,1-2H3,(H,26,28)
InChIKey
ATMXXPHCAOJVNI-UHFFFAOYSA-N
Compound name
N-[8-[(4-cyanophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,3-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.20523 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 202.1
[M+Na]+ 428.19445 212.7
[M+NH4]+ 423.23905 205.6
[M+K]+ 444.16839 203.4
[M-H]- 404.19795 198.9
[M+Na-2H]- 426.17990 203.2
[M]+ 405.20468 201.7
[M]- 405.20578 201.7
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.