CID 212582

24588-94-1

Structural Information

Molecular Formula

C₁₇H₂₁NO₃

SMILES

CN(C)CC(COC1=CC=CC=C1OC2=CC=CC=C2)O

InChI

InChI=1S/C17H21NO3/c1-18(2)12-14(19)13-20-16-10-6-7-11-17(16)21-15-8-4-3-5-9-15/h3-11,14,19H,12-13H2,1-2H3

InChIKey

KSUWPOXDJOONSQ-UHFFFAOYSA-N

Compound name

1-(dimethylamino)-3-(2-phenoxyphenoxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 287.15213 Da
Monoisotopic Mass: 2.8
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]+	288.159406	167.9
[M+Na]+	310.141348	172.3
[M-H]-	286.144854	174.0
[M+NH4]+	305.185953	182.6
[M+K]+	326.115288	170.5
[M+H-H2O]+	270.149390	159.3
[M+HCOO]-	332.150331	190.9
[M+CH3COO]-	346.165981	204.8
[M+Na-2H]-	308.126796	171.5
[M]+	287.15158142	170.6
[M]-	287.15267858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe