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 199.6
[M+Na]+ 456.08932 206.9
[M-H]- 432.09282 209.6
[M+NH4]+ 451.13392 214.5
[M+K]+ 472.06326 196.4
[M+H-H2O]+ 416.09736 197.6
[M+HCOO]- 478.09830 215.1
[M+CH3COO]- 492.11395 209.9
[M+Na-2H]- 454.07477 198.3
[M]+ 433.09955 216.8
[M]- 433.10065 216.8
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.