CID 3013678

Schembl4777850

Structural Information

Molecular Formula
C27H37N3O
SMILES
C1CC(CNC1)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H37N3O/c31-27(25-11-7-16-28-22-25)30(26-12-5-2-6-13-26)18-8-17-29-19-14-24(15-20-29)21-23-9-3-1-4-10-23/h1-6,9-10,12-13,24-25,28H,7-8,11,14-22H2
InChIKey
JRFHFKAWSQTRDA-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

419.29367 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.30095 205.1
[M+Na]+ 442.28289 201.7
[M-H]- 418.28639 210.9
[M+NH4]+ 437.32749 209.7
[M+K]+ 458.25683 195.3
[M+H-H2O]+ 402.29093 191.3
[M+HCOO]- 464.29187 215.4
[M+CH3COO]- 478.30752 208.9
[M+Na-2H]- 440.26834 202.8
[M]+ 419.29312 194.4
[M]- 419.29422 194.4
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