CID 55606

Brn 4623430

Structural Information

Molecular Formula
C36H46N2O5
SMILES
CC(=O)C1=C(C=CC(=C1)OCCCN2CCC(CC2)(C3=CC=CC=C3)O)OCCCN4CCC(CC4)(C5=CC=CC=C5)O
InChI
InChI=1S/C36H46N2O5/c1-29(39)33-28-32(42-26-8-20-37-22-16-35(40,17-23-37)30-10-4-2-5-11-30)14-15-34(33)43-27-9-21-38-24-18-36(41,19-25-38)31-12-6-3-7-13-31/h2-7,10-15,28,40-41H,8-9,16-27H2,1H3
InChIKey
IDJASFPHDWXOFI-UHFFFAOYSA-N
Compound name
1-[2,5-bis[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.3407 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.34798 249.0
[M+Na]+ 609.32992 260.8
[M+NH4]+ 604.37452 256.1
[M+K]+ 625.30386 248.1
[M-H]- 585.33342 256.2
[M+Na-2H]- 607.31537 259.0
[M]+ 586.34015 252.9
[M]- 586.34125 252.9
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.