CID 3068169

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

Structural Information

Molecular Formula
C22H26BrN3O2
SMILES
COC1=C(C=C(C=C1N)Br)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C22H26BrN3O2/c1-28-21-19(9-15(23)10-20(21)24)22(27)25-16-11-17-7-8-18(12-16)26(17)13-14-5-3-2-4-6-14/h2-6,9-10,16-18H,7-8,11-13,24H2,1H3,(H,25,27)
InChIKey
SXQJKYBFVDYQMV-UHFFFAOYSA-N
Compound name
3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.12085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.12813 202.6
[M+Na]+ 466.11007 203.8
[M+NH4]+ 461.15467 206.4
[M+K]+ 482.08401 203.8
[M-H]- 442.11357 205.8
[M+Na-2H]- 464.09552 203.1
[M]+ 443.12030 202.3
[M]- 443.12140 202.3
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.