CID 29971587

Dtxsid701334974

Structural Information

Molecular Formula
C17H21NO3
SMILES
CCOC1=CC=CC=C1O[C@H](C2=CC=CC=C2)[C@@H](CN)O
InChI
InChI=1S/C17H21NO3/c1-2-20-15-10-6-7-11-16(15)21-17(14(19)12-18)13-8-4-3-5-9-13/h3-11,14,17,19H,2,12,18H2,1H3/t14-,17-/m1/s1
InChIKey
NSRLBJFRMMPGOK-RHSMWYFYSA-N
Compound name
(1R,2R)-3-amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 168.5
[M+Na]+ 310.141348 172.5
[M-H]- 286.144854 172.7
[M+NH4]+ 305.185953 182.2
[M+K]+ 326.115288 169.4
[M+H-H2O]+ 270.149390 160.2
[M+HCOO]- 332.150331 189.3
[M+CH3COO]- 346.165981 201.8
[M+Na-2H]- 308.126796 170.6
[M]+ 287.15158142 168.4
[M]- 287.15267858 168.4
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.