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 188.3
[M-H]- 371.16124 191.4
[M+NH4]+ 390.20234 196.1
[M+K]+ 411.13168 180.5
[M+H-H2O]+ 355.16578 181.7
[M+HCOO]- 417.16672 202.5
[M+CH3COO]- 431.18237 204.9
[M+Na-2H]- 393.14319 191.1
[M]+ 372.16797 181.5
[M]- 372.16907 181.5
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.