CID 3068193

83130-83-0

Structural Information

Molecular Formula
C23H27BrN2O3
SMILES
COC1=CC(=CC(=C1OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)Br
InChI
InChI=1S/C23H27BrN2O3/c1-28-21-11-16(24)10-20(22(21)29-2)23(27)25-17-12-18-8-9-19(13-17)26(18)14-15-6-4-3-5-7-15/h3-7,10-11,17-19H,8-9,12-14H2,1-2H3,(H,25,27)
InChIKey
CDTFYDSDYGNUHU-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-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]+ 459.127776 206.2
[M+Na]+ 481.109718 213.0
[M-H]- 457.113224 215.3
[M+NH4]+ 476.154323 220.1
[M+K]+ 497.083658 201.3
[M+H-H2O]+ 441.117760 203.2
[M+HCOO]- 503.118701 220.3
[M+CH3COO]- 517.134351 230.8
[M+Na-2H]- 479.095166 205.7
[M]+ 458.11995142 224.4
[M]- 458.12104858 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.