CID 3008325

Schembl5758647

Structural Information

Molecular Formula
C28H32N2O
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H32N2O/c31-28(26-13-6-2-7-14-26)30(27-15-8-3-9-16-27)20-10-19-29-21-17-25(18-22-29)23-24-11-4-1-5-12-24/h1-9,11-16,25H,10,17-23H2
InChIKey
XSEYJFRYNTWBBS-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

412.25146 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25874 204.1
[M+Na]+ 435.24068 203.8
[M-H]- 411.24418 213.6
[M+NH4]+ 430.28528 211.2
[M+K]+ 451.21462 197.6
[M+H-H2O]+ 395.24872 190.7
[M+HCOO]- 457.24966 221.1
[M+CH3COO]- 471.26531 210.4
[M+Na-2H]- 433.22613 204.3
[M]+ 412.25091 199.1
[M]- 412.25201 199.1
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