CID 3049154

64511-72-4

Structural Information

Molecular Formula
C20H26N2O3
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CC(COC3=CC=C(C=C3)N)O
InChI
InChI=1S/C20H26N2O3/c21-17-6-8-19(9-7-17)25-15-18(23)14-22-12-10-20(24,11-13-22)16-4-2-1-3-5-16/h1-9,18,23-24H,10-15,21H2
InChIKey
BWNAQNABRWVXCQ-UHFFFAOYSA-N
Compound name
1-[3-(4-aminophenoxy)-2-hydroxypropyl]-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.201616 183.2
[M+Na]+ 365.183558 185.9
[M-H]- 341.187064 187.2
[M+NH4]+ 360.228163 194.2
[M+K]+ 381.157498 181.1
[M+H-H2O]+ 325.191600 173.6
[M+HCOO]- 387.192541 198.1
[M+CH3COO]- 401.208191 208.2
[M+Na-2H]- 363.169006 184.8
[M]+ 342.19379142 177.3
[M]- 342.19488858 177.3
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.