CID 46186

Acetophenone, 2'-((2-hydroxy-3-(4-hydroxy-4-phenylpiperidino))propoxy)-, hydrochloride

Structural Information

Molecular Formula
C22H27NO4
SMILES
CC(=O)C1=CC=CC=C1OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O
InChI
InChI=1S/C22H27NO4/c1-17(24)20-9-5-6-10-21(20)27-16-19(25)15-23-13-11-22(26,12-14-23)18-7-3-2-4-8-18/h2-10,19,25-26H,11-16H2,1H3
InChIKey
SCAHBNXOKPAADX-UHFFFAOYSA-N
Compound name
1-[2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

369.194 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 190.7
[M+Na]+ 392.18322 202.1
[M+NH4]+ 387.22782 198.1
[M+K]+ 408.15716 193.9
[M-H]- 368.18672 194.4
[M+Na-2H]- 390.16867 198.6
[M]+ 369.19345 193.3
[M]- 369.19455 193.3
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

No patent data available for this compound.