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]+ 442.189196 206.7
[M+Na]+ 464.171138 210.7
[M-H]- 440.174644 213.5
[M+NH4]+ 459.215743 217.9
[M+K]+ 480.145078 204.8
[M+H-H2O]+ 424.179180 197.8
[M+HCOO]- 486.180121 218.6
[M+CH3COO]- 500.195771 235.2
[M+Na-2H]- 462.156586 204.4
[M]+ 441.18137142 207.5
[M]- 441.18246858 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.