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]+ 333.19615 181.1
[M+Na]+ 355.17809 186.9
[M-H]- 331.18159 187.8
[M+NH4]+ 350.22269 197.8
[M+K]+ 371.15203 180.1
[M+H-H2O]+ 315.18613 171.6
[M+HCOO]- 377.18707 195.4
[M+CH3COO]- 391.20272 190.4
[M+Na-2H]- 353.16354 179.4
[M]+ 332.18832 177.3
[M]- 332.18942 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.