CID 3049158

64511-77-9

Structural Information

Molecular Formula
C20H24N2O4
SMILES
C1CN(CCC1C2=CC=CC=C2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H24N2O4/c23-19(15-26-20-8-4-7-18(13-20)22(24)25)14-21-11-9-17(10-12-21)16-5-2-1-3-6-16/h1-8,13,17,19,23H,9-12,14-15H2
InChIKey
HCDZBKZTAUJWCC-UHFFFAOYSA-N
Compound name
1-(3-nitrophenoxy)-3-(4-phenylpiperidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1736 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 184.0
[M+Na]+ 379.16282 196.9
[M+NH4]+ 374.20742 190.9
[M+K]+ 395.13676 192.3
[M-H]- 355.16632 190.1
[M+Na-2H]- 377.14827 191.7
[M]+ 356.17305 187.4
[M]- 356.17415 187.4
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.