CID 3059383

Exo-n-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-2,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C24H30N2O4
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)OC)OC
InChI
InChI=1S/C24H30N2O4/c1-28-21-14-23(30-3)22(29-2)13-20(21)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
JPGZEDZBCDRORP-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-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 200.8
[M+Na]+ 433.20977 211.8
[M+NH4]+ 428.25437 207.7
[M+K]+ 449.18371 206.3
[M-H]- 409.21327 205.2
[M+Na-2H]- 431.19522 204.8
[M]+ 410.22000 203.4
[M]- 410.22110 203.4
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.