CID 3068172

Exo-2,3-dimethoxy-n-(8-((4-methylphenyl)methyl)-8-azabicyclo(3.2.1)oct-3-yl)benzamide

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CC1=CC=C(C=C1)CN2C3CCC2CC(C3)NC(=O)C4=C(C(=CC=C4)OC)OC
InChI
InChI=1S/C24H30N2O3/c1-16-7-9-17(10-8-16)15-26-19-11-12-20(26)14-18(13-19)25-24(27)21-5-4-6-22(28-2)23(21)29-3/h4-10,18-20H,11-15H2,1-3H3,(H,25,27)
InChIKey
PBAHPPJGXVMIBX-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.22565 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.232926 197.3
[M+Na]+ 417.214868 201.4
[M-H]- 393.218374 204.2
[M+NH4]+ 412.259473 210.0
[M+K]+ 433.188808 196.6
[M+H-H2O]+ 377.222910 187.7
[M+HCOO]- 439.223851 213.4
[M+CH3COO]- 453.239501 226.9
[M+Na-2H]- 415.200316 195.7
[M]+ 394.22510142 197.5
[M]- 394.22619858 197.5
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.