CID 26258

Quinterenol

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

CC(C)NCC(C1=C2C=CC=NC2=C(C=C1)O)O

InChI

InChI=1S/C14H18N2O2/c1-9(2)16-8-13(18)10-5-6-12(17)14-11(10)4-3-7-15-14/h3-7,9,13,16-18H,8H2,1-2H3

InChIKey

RSDQHEMTUCMUPQ-UHFFFAOYSA-N

Compound name

5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 633
Patents: 246.13683 Da
Monoisotopic Mass: 1.5
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]+	247.144106	156.8
[M+Na]+	269.126048	162.9
[M-H]-	245.129554	157.2
[M+NH4]+	264.170653	172.3
[M+K]+	285.099988	159.2
[M+H-H2O]+	229.134090	149.8
[M+HCOO]-	291.135031	174.6
[M+CH3COO]-	305.150681	194.6
[M+Na-2H]-	267.111496	161.3
[M]+	246.13628142	155.7
[M]-	246.13737858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.