CID 218862

Thiazolidine, 3-(5-(6-bromo-2-pyridyloxy)pentyl)-, hydrochloride

Structural Information

Molecular Formula
C13H19BrN2OS
SMILES
C1CSCN1CCCCCOC2=NC(=CC=C2)Br
InChI
InChI=1S/C13H19BrN2OS/c14-12-5-4-6-13(15-12)17-9-3-1-2-7-16-8-10-18-11-16/h4-6H,1-3,7-11H2
InChIKey
PSQNTPILPSNNAG-UHFFFAOYSA-N
Compound name
3-[5-(6-bromopyridin-2-yl)oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.04016 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04744 161.0
[M+Na]+ 353.02938 171.2
[M-H]- 329.03288 167.3
[M+NH4]+ 348.07398 178.9
[M+K]+ 369.00332 159.5
[M+H-H2O]+ 313.03742 159.9
[M+HCOO]- 375.03836 174.8
[M+CH3COO]- 389.05401 201.0
[M+Na-2H]- 351.01483 163.3
[M]+ 330.03961 181.7
[M]- 330.04071 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.