CID 3068192

Exo-n-(8-(3,4-dichlorobenzyl)-8-azabicyclo(3.2.1)oct-3-yl)-2-ethoxy-3-methoxybenzamide hcl

Structural Information

Molecular Formula
C24H28Cl2N2O3
SMILES
CCOC1=C(C=CC=C1OC)C(=O)NC2CC3CCC(C2)N3CC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H28Cl2N2O3/c1-3-31-23-19(5-4-6-22(23)30-2)24(29)27-16-12-17-8-9-18(13-16)28(17)14-15-7-10-20(25)21(26)11-15/h4-7,10-11,16-18H,3,8-9,12-14H2,1-2H3,(H,27,29)
InChIKey
ZXLQOPHJNLGLSG-UHFFFAOYSA-N
Compound name
N-[8-[(3,4-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-ethoxy-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1477 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.15498 211.9
[M+Na]+ 485.13692 218.1
[M-H]- 461.14042 218.1
[M+NH4]+ 480.18152 223.5
[M+K]+ 501.11086 211.1
[M+H-H2O]+ 445.14496 203.4
[M+HCOO]- 507.14590 218.4
[M+CH3COO]- 521.16155 235.2
[M+Na-2H]- 483.12237 208.3
[M]+ 462.14715 216.3
[M]- 462.14825 216.3
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.