CID 3059377

Exo-4-acetamido-5-bromo-2-methoxy-n-(8-benzyl-8-azabicyclo(3.2.1)oct-3-yl)benzamide hcl

Structural Information

Molecular Formula
C24H28BrN3O3
SMILES
CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)Br
InChI
InChI=1S/C24H28BrN3O3/c1-15(29)26-22-13-23(31-2)20(12-21(22)25)24(30)27-17-10-18-8-9-19(11-17)28(18)14-16-6-4-3-5-7-16/h3-7,12-13,17-19H,8-11,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKey
WDUWCIPXMSPGBV-UHFFFAOYSA-N
Compound name
4-acetamido-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

485.1314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.13868 211.2
[M+Na]+ 508.12062 216.5
[M-H]- 484.12412 220.0
[M+NH4]+ 503.16522 223.4
[M+K]+ 524.09456 204.6
[M+H-H2O]+ 468.12866 207.6
[M+HCOO]- 530.12960 225.1
[M+CH3COO]- 544.14525 238.1
[M+Na-2H]- 506.10607 210.0
[M]+ 485.13085 227.7
[M]- 485.13195 227.7
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.