CID 55607

Brn 4623429

Structural Information

Molecular Formula
C36H46N2O5
SMILES
CC(=O)C1=C(C=CC=C1OCCCN2CCC(CC2)(C3=CC=CC=C3)O)OCCCN4CCC(CC4)(C5=CC=CC=C5)O
InChI
InChI=1S/C36H46N2O5/c1-29(39)34-32(42-27-9-21-37-23-17-35(40,18-24-37)30-11-4-2-5-12-30)15-8-16-33(34)43-28-10-22-38-25-19-36(41,20-26-38)31-13-6-3-7-14-31/h2-8,11-16,40-41H,9-10,17-28H2,1H3
InChIKey
GVSMDXGULIDSBH-UHFFFAOYSA-N
Compound name
1-[2,6-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 247.1
[M+Na]+ 609.32992 245.1
[M-H]- 585.33342 253.6
[M+NH4]+ 604.37452 247.4
[M+K]+ 625.30386 239.3
[M+H-H2O]+ 569.33796 231.1
[M+HCOO]- 631.33890 252.8
[M+CH3COO]- 645.35455 251.5
[M+Na-2H]- 607.31537 242.7
[M]+ 586.34015 241.6
[M]- 586.34125 241.6
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.