CID 3059395

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

Structural Information

Molecular Formula
C23H28BrN3O2
SMILES
CCOC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)Br)N
InChI
InChI=1S/C23H28BrN3O2/c1-2-29-22-13-21(25)20(24)12-19(22)23(28)26-16-10-17-8-9-18(11-16)27(17)14-15-6-4-3-5-7-15/h3-7,12-13,16-18H,2,8-11,14,25H2,1H3,(H,26,28)
InChIKey
RTJGRCJVXUDKCG-UHFFFAOYSA-N
Compound name
4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.1365 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.14378 206.3
[M+Na]+ 480.12572 212.3
[M-H]- 456.12922 214.7
[M+NH4]+ 475.17032 219.6
[M+K]+ 496.09966 199.5
[M+H-H2O]+ 440.13376 202.7
[M+HCOO]- 502.13470 220.5
[M+CH3COO]- 516.15035 215.1
[M+Na-2H]- 478.11117 205.4
[M]+ 457.13595 221.6
[M]- 457.13705 221.6
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.