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 183.0
[M+Na]+ 350.20904 184.4
[M-H]- 326.21254 186.5
[M+NH4]+ 345.25364 195.1
[M+K]+ 366.18298 180.0
[M+H-H2O]+ 310.21708 173.9
[M+HCOO]- 372.21802 202.8
[M+CH3COO]- 386.23367 211.0
[M+Na-2H]- 348.19449 184.7
[M]+ 327.21927 183.4
[M]- 327.22037 183.4
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.