CID 204761

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

Structural Information

Molecular Formula

C₂₁H₂₉NO₂

SMILES

CC(C)NCC(COC(CC1=CC=CC=C1)CC2=CC=CC=C2)O

InChI

InChI=1S/C21H29NO2/c1-17(2)22-15-20(23)16-24-21(13-18-9-5-3-6-10-18)14-19-11-7-4-8-12-19/h3-12,17,20-23H,13-16H2,1-2H3

InChIKey

WYRVOYPAVVVEFO-UHFFFAOYSA-N

Compound name

1-(1,3-diphenylpropan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 327.21982 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	328.227096	183.5
[M+Na]+	350.209038	184.6
[M-H]-	326.212544	187.1
[M+NH4]+	345.253643	195.5
[M+K]+	366.182978	180.9
[M+H-H2O]+	310.217080	174.6
[M+HCOO]-	372.218021	202.4
[M+CH3COO]-	386.233671	211.9
[M+Na-2H]-	348.194486	184.0
[M]+	327.21927142	183.3
[M]-	327.22036858	183.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.