CID 3059367

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

Structural Information

Molecular Formula
C22H24BrCl2N3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC(=C(C=C4)Cl)Cl)Br)N
InChI
InChI=1S/C22H24BrCl2N3O2/c1-30-21-10-20(26)17(23)9-16(21)22(29)27-13-7-14-3-4-15(8-13)28(14)11-12-2-5-18(24)19(25)6-12/h2,5-6,9-10,13-15H,3-4,7-8,11,26H2,1H3,(H,27,29)
InChIKey
BFOLUERZXGCFFW-UHFFFAOYSA-N
Compound name
4-amino-5-bromo-N-[8-[(3,4-dichlorophenyl)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

511.04288 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.050156 214.7
[M+Na]+ 534.032098 224.6
[M-H]- 510.035604 223.1
[M+NH4]+ 529.076703 228.1
[M+K]+ 550.006038 209.6
[M+H-H2O]+ 494.040140 212.8
[M+HCOO]- 556.041081 220.3
[M+CH3COO]- 570.056731 223.6
[M+Na-2H]- 532.017546 212.1
[M]+ 511.04233142 234.0
[M]- 511.04342858 234.0
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.