CID 3068198

Exo-2,3-dimethoxy-5-(methylthio)-n-(8-benzyl-8-azabicyclo(3.2.1)oct-3-yl)benzamide

Structural Information

Molecular Formula
C24H30N2O3S
SMILES
COC1=CC(=CC(=C1OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)SC
InChI
InChI=1S/C24H30N2O3S/c1-28-22-14-20(30-3)13-21(23(22)29-2)24(27)25-17-11-18-9-10-19(12-17)26(18)15-16-7-5-4-6-8-16/h4-8,13-14,17-19H,9-12,15H2,1-3H3,(H,25,27)
InChIKey
NGXMGHCEOYHATD-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxy-5-methylsulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.19772 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20500 202.8
[M+Na]+ 449.18694 207.2
[M-H]- 425.19044 209.6
[M+NH4]+ 444.23154 215.0
[M+K]+ 465.16088 202.1
[M+H-H2O]+ 409.19498 194.2
[M+HCOO]- 471.19592 214.3
[M+CH3COO]- 485.21157 230.3
[M+Na-2H]- 447.17239 200.0
[M]+ 426.19717 205.8
[M]- 426.19827 205.8
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.