CID 218544

40771-33-3

Structural Information

Molecular Formula

C₁₄H₂₁ClN₂OS

SMILES

C1CSCN1CCCCCCOC2=NC=C(C=C2)Cl

InChI

InChI=1S/C14H21ClN2OS/c15-13-5-6-14(16-11-13)18-9-4-2-1-3-7-17-8-10-19-12-17/h5-6,11H,1-4,7-10,12H2

InChIKey

LMNRMWSBHXONNK-UHFFFAOYSA-N

Compound name

3-[6-[(5-chloro-2-pyridinyl)oxy]hexyl]-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 300.10632 Da
Monoisotopic Mass: 3.8
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]+	301.113596	168.4
[M+Na]+	323.095538	175.1
[M-H]-	299.099044	171.6
[M+NH4]+	318.140143	184.1
[M+K]+	339.069478	169.8
[M+H-H2O]+	283.103580	160.4
[M+HCOO]-	345.104521	178.8
[M+CH3COO]-	359.120171	198.5
[M+Na-2H]-	321.080986	167.4
[M]+	300.10577142	172.4
[M]-	300.10686858	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe