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]+ 512.05016 214.7
[M+Na]+ 534.03210 224.6
[M-H]- 510.03560 223.1
[M+NH4]+ 529.07670 228.1
[M+K]+ 550.00604 209.6
[M+H-H2O]+ 494.04014 212.8
[M+HCOO]- 556.04108 220.3
[M+CH3COO]- 570.05673 223.6
[M+Na-2H]- 532.01755 212.1
[M]+ 511.04233 234.0
[M]- 511.04343 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.