CID 10082450

Decarbazolyl desmethyl carvedilol

Structural Information

Molecular Formula

C₁₁H₁₇NO₄

SMILES

C1=CC=C(C(=C1)O)OCCNCC(CO)O

InChI

InChI=1S/C11H17NO4/c13-8-9(14)7-12-5-6-16-11-4-2-1-3-10(11)15/h1-4,9,12-15H,5-8H2

InChIKey

AGYRJCUIRUOCTL-UHFFFAOYSA-N

Compound name

3-[2-(2-hydroxyphenoxy)ethylamino]propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 227.11575 Da
Monoisotopic Mass: -0.4
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]+	228.123026	150.2
[M+Na]+	250.104968	154.9
[M-H]-	226.108474	149.4
[M+NH4]+	245.149573	165.8
[M+K]+	266.078908	152.5
[M+H-H2O]+	210.113010	143.8
[M+HCOO]-	272.113951	170.4
[M+CH3COO]-	286.129601	185.0
[M+Na-2H]-	248.090416	154.2
[M]+	227.11520142	149.9
[M]-	227.11629858	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.