CID 218859

Thiazolidine, 3-(5-(5-bromo-2-pyridyloxy)pentyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉BrN₂OS

SMILES

C1CSCN1CCCCCOC2=NC=C(C=C2)Br

InChI

InChI=1S/C13H19BrN2OS/c14-12-4-5-13(15-10-12)17-8-3-1-2-6-16-7-9-18-11-16/h4-5,10H,1-3,6-9,11H2

InChIKey

VVYPOWOAYOGTRQ-UHFFFAOYSA-N

Compound name

3-[5-[(5-bromo-2-pyridinyl)oxy]pentyl]-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 330.04016 Da
Monoisotopic Mass: 3.5
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]+	331.047436	161.0
[M+Na]+	353.029378	171.2
[M-H]-	329.032884	167.3
[M+NH4]+	348.073983	178.9
[M+K]+	369.003318	159.5
[M+H-H2O]+	313.037420	159.9
[M+HCOO]-	375.038361	174.8
[M+CH3COO]-	389.054011	201.0
[M+Na-2H]-	351.014826	163.3
[M]+	330.03961142	181.7
[M]-	330.04070858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe