CID 3068177

Exo-n-(8-((4-bromophenyl)methyl)-8-azabicyclo(3.2.1)oct-3-yl)-2,3-dimethoxybenzamide

Structural Information

Molecular Formula
C23H27BrN2O3
SMILES
COC1=CC=CC(=C1OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=C(C=C4)Br
InChI
InChI=1S/C23H27BrN2O3/c1-28-21-5-3-4-20(22(21)29-2)23(27)25-17-12-18-10-11-19(13-17)26(18)14-15-6-8-16(24)9-7-15/h3-9,17-19H,10-14H2,1-2H3,(H,25,27)
InChIKey
UZIGSWIGADPXPW-UHFFFAOYSA-N
Compound name
N-[8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,3-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.1205 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.12778 206.2
[M+Na]+ 481.10972 213.0
[M-H]- 457.11322 215.3
[M+NH4]+ 476.15432 220.1
[M+K]+ 497.08366 201.3
[M+H-H2O]+ 441.11776 203.2
[M+HCOO]- 503.11870 220.3
[M+CH3COO]- 517.13435 230.8
[M+Na-2H]- 479.09517 205.7
[M]+ 458.11995 224.4
[M]- 458.12105 224.4
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.