CID 4490594

Vk-28

Structural Information

Molecular Formula

C₁₆H₂₁N₃O₂

SMILES

C1CN(CCN1CCO)CC2=C3C=CC=NC3=C(C=C2)O

InChI

InChI=1S/C16H21N3O2/c20-11-10-18-6-8-19(9-7-18)12-13-3-4-15(21)16-14(13)2-1-5-17-16/h1-5,20-21H,6-12H2

InChIKey

XIXFNVDWEWCEOI-UHFFFAOYSA-N

Compound name

5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 112
Patents: 287.1634 Da
Monoisotopic Mass: 1.0
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]+	288.17068	169.9
[M+Na]+	310.15262	175.6
[M-H]-	286.15612	169.8
[M+NH4]+	305.19722	180.8
[M+K]+	326.12656	169.8
[M+H-H2O]+	270.16066	159.8
[M+HCOO]-	332.16160	182.2
[M+CH3COO]-	346.17725	178.2
[M+Na-2H]-	308.13807	173.9
[M]+	287.16285	165.8
[M]-	287.16395	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe