CID 3049153

64511-71-3

Structural Information

Molecular Formula
C20H24N2O5
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H24N2O5/c23-18(15-27-19-8-6-17(7-9-19)22(25)26)14-21-12-10-20(24,11-13-21)16-4-2-1-3-5-16/h1-9,18,23-24H,10-15H2
InChIKey
BTHQHXKHSTZORL-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-3-(4-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]+ 373.175796 187.1
[M+Na]+ 395.157738 188.3
[M-H]- 371.161244 191.4
[M+NH4]+ 390.202343 196.1
[M+K]+ 411.131678 180.5
[M+H-H2O]+ 355.165780 181.7
[M+HCOO]- 417.166721 202.5
[M+CH3COO]- 431.182371 204.9
[M+Na-2H]- 393.143186 191.1
[M]+ 372.16797142 181.5
[M]- 372.16906858 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.