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]+ 288.15941 168.5
[M+Na]+ 310.14135 172.5
[M-H]- 286.14485 172.7
[M+NH4]+ 305.18595 182.2
[M+K]+ 326.11529 169.4
[M+H-H2O]+ 270.14939 160.2
[M+HCOO]- 332.15033 189.3
[M+CH3COO]- 346.16598 201.8
[M+Na-2H]- 308.12680 170.6
[M]+ 287.15158 168.4
[M]- 287.15268 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.