CID 3059284

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

Structural Information

Molecular Formula
C24H28ClN3O3
SMILES
CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)Cl
InChI
InChI=1S/C24H28ClN3O3/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
ULLAEPZUMNORCC-UHFFFAOYSA-N
Compound name
4-acetamido-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.18192 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.18920 206.7
[M+Na]+ 464.17114 210.7
[M-H]- 440.17464 213.5
[M+NH4]+ 459.21574 217.9
[M+K]+ 480.14508 204.8
[M+H-H2O]+ 424.17918 197.8
[M+HCOO]- 486.18012 218.6
[M+CH3COO]- 500.19577 235.2
[M+Na-2H]- 462.15659 204.4
[M]+ 441.18137 207.5
[M]- 441.18247 207.5
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.