CID 137519326

Nvp-dky709

Structural Information

Molecular Formula
C25H27N3O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)C4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C25H27N3O3/c29-23-9-8-22(24(30)26-23)28-16-20-14-19(6-7-21(20)25(28)31)18-10-12-27(13-11-18)15-17-4-2-1-3-5-17/h1-7,14,18,22H,8-13,15-16H2,(H,26,29,30)
InChIKey
OMISHRJQMYQPMG-UHFFFAOYSA-N
Compound name
3-[6-(1-benzylpiperidin-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

60
Patents

417.20523 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.21251 204.9
[M+Na]+ 440.19445 217.5
[M+NH4]+ 435.23905 211.1
[M+K]+ 456.16839 211.3
[M-H]- 416.19795 210.3
[M+Na-2H]- 438.17990 210.0
[M]+ 417.20468 207.9
[M]- 417.20578 207.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe