CID 515009

Schembl7458518

Structural Information

Molecular Formula
C26H33N3O2
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)C4CC(=O)NC4
InChI
InChI=1S/C26H33N3O2/c30-25-19-23(20-27-25)26(31)29(24-10-5-2-6-11-24)15-7-14-28-16-12-22(13-17-28)18-21-8-3-1-4-9-21/h1-6,8-11,22-23H,7,12-20H2,(H,27,30)
InChIKey
KFMOCSHYSCJPNN-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

419.25726 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.26454 203.8
[M+Na]+ 442.24648 202.9
[M-H]- 418.24998 211.2
[M+NH4]+ 437.29108 210.7
[M+K]+ 458.22042 197.0
[M+H-H2O]+ 402.25452 191.3
[M+HCOO]- 464.25546 217.3
[M+CH3COO]- 478.27111 209.3
[M+Na-2H]- 440.23193 199.5
[M]+ 419.25671 196.4
[M]- 419.25781 196.4
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