CID 218867

41287-88-1

Structural Information

Molecular Formula

C₁₃H₁₉IN₂OS

SMILES

C1CSCN1CCCCCOC2=NC=C(C=C2)I

InChI

InChI=1S/C13H19IN2OS/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

WXBVGATVOWRXID-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 378.02628 Da
Monoisotopic Mass: 3.4
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]+	379.03356	168.0
[M+Na]+	401.01550	167.3
[M-H]-	377.01900	164.1
[M+NH4]+	396.06010	179.2
[M+K]+	416.98944	169.4
[M+H-H2O]+	361.02354	156.1
[M+HCOO]-	423.02448	178.5
[M+CH3COO]-	437.04013	202.3
[M+Na-2H]-	399.00095	156.2
[M]+	378.02573	167.2
[M]-	378.02683	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe