CID 3049161

Brn 1511392

Structural Information

Molecular Formula
C20H24N2O5
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H24N2O5/c23-18(15-27-19-8-4-7-17(13-19)22(25)26)14-21-11-9-20(24,10-12-21)16-5-2-1-3-6-16/h1-8,13,18,23-24H,9-12,14-15H2
InChIKey
ZMIMBAYMHYCWDK-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-3-(3-nitrophenoxy)propyl]-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16852 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17580 187.1
[M+Na]+ 395.15774 199.0
[M+NH4]+ 390.20234 194.4
[M+K]+ 411.13168 193.6
[M-H]- 371.16124 192.1
[M+Na-2H]- 393.14319 195.2
[M]+ 372.16797 190.0
[M]- 372.16907 190.0
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.