CID 3079496

125849-30-1

Structural Information

Molecular Formula
C26H30N2O
SMILES
C1CN(CCC1NCCOC2=CC=CC=C2C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C26H30N2O/c1-3-9-22(10-4-1)21-28-18-15-24(16-19-28)27-17-20-29-26-14-8-7-13-25(26)23-11-5-2-6-12-23/h1-14,24,27H,15-21H2
InChIKey
BOHMBPHBHVOIEM-UHFFFAOYSA-N
Compound name
1-benzyl-N-[2-(2-phenylphenoxy)ethyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2358 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.24308 195.7
[M+Na]+ 409.22502 197.2
[M-H]- 385.22852 204.5
[M+NH4]+ 404.26962 203.8
[M+K]+ 425.19896 190.1
[M+H-H2O]+ 369.23306 182.9
[M+HCOO]- 431.23400 213.8
[M+CH3COO]- 445.24965 202.8
[M+Na-2H]- 407.21047 198.2
[M]+ 386.23525 190.7
[M]- 386.23635 190.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.