CID 3062510

(benzyl-8 beta-isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate [french]

Structural Information

Molecular Formula
C22H24N2O
SMILES
C1CC2CC(CC1N2CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O
InChI
InChI=1S/C22H24N2O/c25-22-21-9-5-4-8-17(21)15-24(22)20-12-18-10-11-19(13-20)23(18)14-16-6-2-1-3-7-16/h1-9,18-20H,10-15H2
InChIKey
VWIFRZCPOMTJPC-UHFFFAOYSA-N
Compound name
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.18887 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.196146 181.1
[M+Na]+ 355.178088 186.9
[M-H]- 331.181594 187.8
[M+NH4]+ 350.222693 197.8
[M+K]+ 371.152028 180.1
[M+H-H2O]+ 315.186130 171.6
[M+HCOO]- 377.187071 195.4
[M+CH3COO]- 391.202721 190.4
[M+Na-2H]- 353.163536 179.4
[M]+ 332.18832142 177.3
[M]- 332.18941858 177.3
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.