CID 218845

41287-76-7

Structural Information

Molecular Formula

C₁₁H₁₅IN₂OS

SMILES

C1CSCN1CCCOC2=NC=C(C=C2)I

InChI

InChI=1S/C11H15IN2OS/c12-10-2-3-11(13-8-10)15-6-1-4-14-5-7-16-9-14/h2-3,8H,1,4-7,9H2

InChIKey

KMWXSZPRUJHARL-UHFFFAOYSA-N

Compound name

3-[3-[(5-iodo-2-pyridinyl)oxy]propyl]-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.995 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]+	351.002276	158.8
[M+Na]+	372.984218	159.0
[M-H]-	348.987724	155.4
[M+NH4]+	368.028823	171.2
[M+K]+	388.958158	161.6
[M+H-H2O]+	332.992260	147.4
[M+HCOO]-	394.993201	170.0
[M+CH3COO]-	409.008851	196.7
[M+Na-2H]-	370.969666	148.1
[M]+	349.99445142	157.5
[M]-	349.99554858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.