CID 218857

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

Structural Information

Molecular Formula
C13H19BrN2OS
SMILES
C1CSCN1CCCCCOC2=C(C=CC=N2)Br
InChI
InChI=1S/C13H19BrN2OS/c14-12-5-4-6-15-13(12)17-9-3-1-2-7-16-8-10-18-11-16/h4-6H,1-3,7-11H2
InChIKey
BWJPIYFJSUSJAB-UHFFFAOYSA-N
Compound name
3-[5-[(3-bromo-2-pyridinyl)oxy]pentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.04016 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.