CID 205907

18966-02-4

Structural Information

Molecular Formula

C₁₈H₂₃NO₂

SMILES

CC(C)NCC(COC1=CC=C(C=C1)C2=CC=CC=C2)O

InChI

InChI=1S/C18H23NO2/c1-14(2)19-12-17(20)13-21-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-11,14,17,19-20H,12-13H2,1-2H3

InChIKey

YBTGLLRMGKEQCC-UHFFFAOYSA-N

Compound name

1-(4-phenylphenoxy)-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 285.17288 Da
Monoisotopic Mass: 3.3
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]+	286.180156	169.5
[M+Na]+	308.162098	173.2
[M-H]-	284.165604	174.0
[M+NH4]+	303.206703	183.7
[M+K]+	324.136038	169.6
[M+H-H2O]+	268.170140	161.3
[M+HCOO]-	330.171081	190.4
[M+CH3COO]-	344.186731	203.3
[M+Na-2H]-	306.147546	172.1
[M]+	285.17233142	169.3
[M]-	285.17342858	169.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.