CID 3068174

Exo-4-amino-5-bromo-2-ethoxy-n-(8-(4-chlorobenzyl)-8-azabicyclo(3.2.1)oct-3-yl)benzamide

Structural Information

Molecular Formula
C23H27BrClN3O2
SMILES
CCOC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=C(C=C4)Cl)Br)N
InChI
InChI=1S/C23H27BrClN3O2/c1-2-30-22-12-21(26)20(24)11-19(22)23(29)27-16-9-17-7-8-18(10-16)28(17)13-14-3-5-15(25)6-4-14/h3-6,11-12,16-18H,2,7-10,13,26H2,1H3,(H,27,29)
InChIKey
QDKMRWRAFFCDSK-UHFFFAOYSA-N
Compound name
4-amino-5-bromo-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.09753 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.10481 213.4
[M+Na]+ 514.08675 215.5
[M+NH4]+ 509.13135 217.2
[M+K]+ 530.06069 214.5
[M-H]- 490.09025 216.7
[M+Na-2H]- 512.07220 213.4
[M]+ 491.09698 213.5
[M]- 491.09808 213.5
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.