CID 3055326

2-(4-(3-carbamoylpiperidino)butoxy)bibenzyl

Structural Information

Molecular Formula
C24H32N2O2
SMILES
C1CC(CN(C1)CCCCOC2=CC=CC=C2CCC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C24H32N2O2/c25-24(27)22-12-8-17-26(19-22)16-6-7-18-28-23-13-5-4-11-21(23)15-14-20-9-2-1-3-10-20/h1-5,9-11,13,22H,6-8,12,14-19H2,(H2,25,27)
InChIKey
COWRQWLTZAMMKG-UHFFFAOYSA-N
Compound name
1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

380.24637 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 198.0
[M+Na]+ 403.23559 209.8
[M+NH4]+ 398.28019 204.9
[M+K]+ 419.20953 200.8
[M-H]- 379.23909 203.9
[M+Na-2H]- 401.22104 205.5
[M]+ 380.24582 201.2
[M]- 380.24692 201.2
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