CID 3068181

83130-71-6

Structural Information

Molecular Formula
C24H30N2O4
SMILES
COC1=CC(=C(C(=C1)OC)OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C24H30N2O4/c1-28-20-13-21(23(30-3)22(14-20)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
IOBIZIYHGMFRMA-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.227826 199.7
[M+Na]+ 433.209768 203.5
[M-H]- 409.213274 206.6
[M+NH4]+ 428.254373 211.5
[M+K]+ 449.183708 199.5
[M+H-H2O]+ 393.217810 189.9
[M+HCOO]- 455.218751 215.9
[M+CH3COO]- 469.234401 229.1
[M+Na-2H]- 431.195216 198.3
[M]+ 410.22000142 201.2
[M]- 410.22109858 201.2
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.