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]+ 406.212506 199.8
[M+Na]+ 428.194448 207.1
[M-H]- 404.197954 204.6
[M+NH4]+ 423.239053 210.3
[M+K]+ 444.168388 198.4
[M+H-H2O]+ 388.202490 184.0
[M+HCOO]- 450.203431 212.7
[M+CH3COO]- 464.219081 235.4
[M+Na-2H]- 426.179896 198.0
[M]+ 405.20468142 194.4
[M]- 405.20577858 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.