CID 55638

1-(2,5-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)ethanone 2hcl

Structural Information

Molecular Formula
C36H46N2O7
SMILES
CC(=O)C1=C(C=CC(=C1)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O)OCC(CN4CCC(CC4)(C5=CC=CC=C5)O)O
InChI
InChI=1S/C36H46N2O7/c1-27(39)33-22-32(44-25-30(40)23-37-18-14-35(42,15-19-37)28-8-4-2-5-9-28)12-13-34(33)45-26-31(41)24-38-20-16-36(43,17-21-38)29-10-6-3-7-11-29/h2-13,22,30-31,40-43H,14-21,23-26H2,1H3
InChIKey
UNVBOWYKMRIWHA-UHFFFAOYSA-N
Compound name
1-[2,5-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.3305 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.33778 250.1
[M+Na]+ 641.31972 258.9
[M+NH4]+ 636.36432 255.0
[M+K]+ 657.29366 249.9
[M-H]- 617.32322 255.0
[M+Na-2H]- 639.30517 257.9
[M]+ 618.32995 252.6
[M]- 618.33105 252.6
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.