CID 171322

4-hydroxyalprenolol

Structural Information

Molecular Formula

C₁₅H₂₃NO₃

SMILES

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

InChI

InChI=1S/C15H23NO3/c1-4-5-12-8-13(17)6-7-15(12)19-10-14(18)9-16-11(2)3/h4,6-8,11,14,16-18H,1,5,9-10H2,2-3H3

InChIKey

HNXRWPIZRBNFDD-UHFFFAOYSA-N

Compound name

4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 265.1678 Da
Monoisotopic Mass: 2.7
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]+	266.175076	164.7
[M+Na]+	288.157018	169.2
[M-H]-	264.160524	165.0
[M+NH4]+	283.201623	179.7
[M+K]+	304.130958	166.1
[M+H-H2O]+	248.165060	158.1
[M+HCOO]-	310.166001	184.0
[M+CH3COO]-	324.181651	198.6
[M+Na-2H]-	286.142466	165.0
[M]+	265.16725142	165.3
[M]-	265.16834858	165.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.