CID 3059369

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

Structural Information

Molecular Formula
C24H30BrN3O2
SMILES
CCC1=CC=C(C=C1)CN2C3CCC2CC(C3)NC(=O)C4=CC(=C(C=C4OC)N)Br
InChI
InChI=1S/C24H30BrN3O2/c1-3-15-4-6-16(7-5-15)14-28-18-8-9-19(28)11-17(10-18)27-24(29)20-12-21(25)22(26)13-23(20)30-2/h4-7,12-13,17-19H,3,8-11,14,26H2,1-2H3,(H,27,29)
InChIKey
NCYAGMVEVYYYSV-UHFFFAOYSA-N
Compound name
4-amino-5-bromo-N-[8-[(4-ethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.15213 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.15941 211.5
[M+Na]+ 494.14135 217.9
[M-H]- 470.14485 220.0
[M+NH4]+ 489.18595 224.5
[M+K]+ 510.11529 204.9
[M+H-H2O]+ 454.14939 207.9
[M+HCOO]- 516.15033 225.3
[M+CH3COO]- 530.16598 237.2
[M+Na-2H]- 492.12680 209.3
[M]+ 471.15158 227.4
[M]- 471.15268 227.4
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.