CID 3068179

Benzamide, 4-amino-5-bromo-n-(8-(3-furanylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-2-methoxy-, exo-

Structural Information

Molecular Formula
C20H24BrN3O3
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=COC=C4)Br)N
InChI
InChI=1S/C20H24BrN3O3/c1-26-19-9-18(22)17(21)8-16(19)20(25)23-13-6-14-2-3-15(7-13)24(14)10-12-4-5-27-11-12/h4-5,8-9,11,13-15H,2-3,6-7,10,22H2,1H3,(H,23,25)
InChIKey
PVADNXWQWOFBJB-UHFFFAOYSA-N
Compound name
4-amino-5-bromo-N-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.10738 203.1
[M+Na]+ 456.08932 202.7
[M+NH4]+ 451.13392 206.2
[M+K]+ 472.06326 205.8
[M-H]- 432.09282 206.2
[M+Na-2H]- 454.07477 201.4
[M]+ 433.09955 202.4
[M]- 433.10065 202.4
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.