CID 3049150

64511-67-7

Structural Information

Molecular Formula
C20H24N2O4
SMILES
C1CN(CCC1C2=CC=CC=C2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H24N2O4/c23-19(15-26-20-8-6-18(7-9-20)22(24)25)14-21-12-10-17(11-13-21)16-4-2-1-3-5-16/h1-9,17,19,23H,10-15H2
InChIKey
GGTZXTPZXLFXLI-UHFFFAOYSA-N
Compound name
1-(4-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]+ 357.180876 184.3
[M+Na]+ 379.162818 185.1
[M-H]- 355.166324 189.6
[M+NH4]+ 374.207423 192.7
[M+K]+ 395.136758 177.0
[M+H-H2O]+ 339.170860 178.2
[M+HCOO]- 401.171801 201.0
[M+CH3COO]- 415.187451 205.8
[M+Na-2H]- 377.148266 187.2
[M]+ 356.17305142 178.7
[M]- 356.17414858 178.7
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.