CID 3068201

Exo-n-(8-((3-chlorophenyl)methyl)-8-azabicyclo(3.2.1)oct-3-yl)-2,3-dimethoxybenzamide

Structural Information

Molecular Formula
C23H27ClN2O3
SMILES
COC1=CC=CC(=C1OC)C(=O)NC2CC3CCC(C2)N3CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H27ClN2O3/c1-28-21-8-4-7-20(22(21)29-2)23(27)25-17-12-18-9-10-19(13-17)26(18)14-15-5-3-6-16(24)11-15/h3-8,11,17-19H,9-10,12-14H2,1-2H3,(H,25,27)
InChIKey
VWWWWWZRMODAON-UHFFFAOYSA-N
Compound name
N-[8-[(3-chlorophenyl)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

414.17102 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17830 199.0
[M+Na]+ 437.16024 211.7
[M+NH4]+ 432.20484 207.0
[M+K]+ 453.13418 204.9
[M-H]- 413.16374 204.0
[M+Na-2H]- 435.14569 203.7
[M]+ 414.17047 202.4
[M]- 414.17157 202.4
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.