CID 3049162

Brn 1501882

Structural Information

Molecular Formula
C20H26N2O3
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CC(COC3=CC=CC(=C3)N)O
InChI
InChI=1S/C20H26N2O3/c21-17-7-4-8-19(13-17)25-15-18(23)14-22-11-9-20(24,10-12-22)16-5-2-1-3-6-16/h1-8,13,18,23-24H,9-12,14-15,21H2
InChIKey
OWJJCAIHOFLNQF-UHFFFAOYSA-N
Compound name
1-[3-(3-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]+ 343.20162 183.2
[M+Na]+ 365.18356 185.9
[M-H]- 341.18706 187.2
[M+NH4]+ 360.22816 194.2
[M+K]+ 381.15750 181.1
[M+H-H2O]+ 325.19160 173.6
[M+HCOO]- 387.19254 198.1
[M+CH3COO]- 401.20819 208.2
[M+Na-2H]- 363.16901 184.8
[M]+ 342.19379 177.3
[M]- 342.19489 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.