CID 215173

1-((alpha-benzylphenethyl)oxy)-3-(propylamino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C21H29NO2
SMILES
CCCNCC(COC(CC1=CC=CC=C1)CC2=CC=CC=C2)O
InChI
InChI=1S/C21H29NO2/c1-2-13-22-16-20(23)17-24-21(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,20-23H,2,13-17H2,1H3
InChIKey
KHLXGCZATOXATC-UHFFFAOYSA-N
Compound name
1-(1,3-diphenylpropan-2-yloxy)-3-(propylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.21982 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22710 184.2
[M+Na]+ 350.20904 195.2
[M+NH4]+ 345.25364 191.3
[M+K]+ 366.18298 187.0
[M-H]- 326.21254 188.3
[M+Na-2H]- 348.19449 191.4
[M]+ 327.21927 186.8
[M]- 327.22037 186.8
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.