CID 3059366

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

Structural Information

Molecular Formula
C22H25Br2N3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC(=CC=C4)Br)Br)N
InChI
InChI=1S/C22H25Br2N3O2/c1-29-21-11-20(25)19(24)10-18(21)22(28)26-15-8-16-5-6-17(9-15)27(16)12-13-3-2-4-14(23)7-13/h2-4,7,10-11,15-17H,5-6,8-9,12,25H2,1H3,(H,26,28)
InChIKey
UTDBRLMNNBNDGG-UHFFFAOYSA-N
Compound name
4-amino-5-bromo-N-[8-[(3-bromophenyl)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

521.0314 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.03868 200.4
[M+Na]+ 544.02062 193.7
[M+NH4]+ 539.06522 201.3
[M+K]+ 559.99456 199.6
[M-H]- 520.02412 202.5
[M+Na-2H]- 542.00607 198.8
[M]+ 521.03085 198.8
[M]- 521.03195 198.8
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.