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 199.8
[M+Na]+ 428.19445 207.1
[M-H]- 404.19795 204.6
[M+NH4]+ 423.23905 210.3
[M+K]+ 444.16839 198.4
[M+H-H2O]+ 388.20249 184.0
[M+HCOO]- 450.20343 212.7
[M+CH3COO]- 464.21908 235.4
[M+Na-2H]- 426.17990 198.0
[M]+ 405.20468 194.4
[M]- 405.20578 194.4
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.