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]+ 411.22783 199.7
[M+Na]+ 433.20977 203.5
[M-H]- 409.21327 206.6
[M+NH4]+ 428.25437 211.5
[M+K]+ 449.18371 199.5
[M+H-H2O]+ 393.21781 189.9
[M+HCOO]- 455.21875 215.9
[M+CH3COO]- 469.23440 229.1
[M+Na-2H]- 431.19522 198.3
[M]+ 410.22000 201.2
[M]- 410.22110 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.