CID 3059388

Exo-2,4-dimethoxy-n-(8-benzyl-8-azabicyclo(3.2.1)oct-3-yl)benzamide hydrochloride

Structural Information

Molecular Formula
C23H28N2O3
SMILES
COC1=CC(=C(C=C1)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)OC
InChI
InChI=1S/C23H28N2O3/c1-27-20-10-11-21(22(14-20)28-2)23(26)24-17-12-18-8-9-19(13-17)25(18)15-16-6-4-3-5-7-16/h3-7,10-11,14,17-19H,8-9,12-13,15H2,1-2H3,(H,24,26)
InChIKey
VUEGZEBXZMYLDI-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.217276 192.1
[M+Na]+ 403.199218 195.8
[M-H]- 379.202724 198.9
[M+NH4]+ 398.243823 205.1
[M+K]+ 419.173158 191.2
[M+H-H2O]+ 363.207260 182.4
[M+HCOO]- 425.208201 208.7
[M+CH3COO]- 439.223851 222.7
[M+Na-2H]- 401.184666 191.8
[M]+ 380.20945142 191.6
[M]- 380.21054858 191.6
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.