CID 218855

41287-81-4

Structural Information

Molecular Formula
C13H18Cl2N2OS
SMILES
C1CSCN1CCCCCOC2=C(C=C(C=N2)Cl)Cl
InChI
InChI=1S/C13H18Cl2N2OS/c14-11-8-12(15)13(16-9-11)18-6-3-1-2-4-17-5-7-19-10-17/h8-9H,1-7,10H2
InChIKey
PWOFRZGNMNURPU-UHFFFAOYSA-N
Compound name
3-[5-[(3,5-dichloro-2-pyridinyl)oxy]pentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0517 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05898 170.1
[M+Na]+ 343.04092 178.1
[M-H]- 319.04442 173.1
[M+NH4]+ 338.08552 185.6
[M+K]+ 359.01486 172.1
[M+H-H2O]+ 303.04896 162.8
[M+HCOO]- 365.04990 175.5
[M+CH3COO]- 379.06555 201.0
[M+Na-2H]- 341.02637 168.1
[M]+ 320.05115 174.8
[M]- 320.05225 174.8
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.