CID 3039127

Thiazolidine, 3-(5-(3,5-dichloro-2-pyridyl)thiopentyl)-, hydrochloride

Structural Information

Molecular Formula
C13H18Cl2N2S2
SMILES
C1CSCN1CCCCCSC2=C(C=C(C=N2)Cl)Cl
InChI
InChI=1S/C13H18Cl2N2S2/c14-11-8-12(15)13(16-9-11)19-6-3-1-2-4-17-5-7-18-10-17/h8-9H,1-7,10H2
InChIKey
LGUGBWWPUPQTOX-UHFFFAOYSA-N
Compound name
3-[5-(3,5-dichloropyridin-2-yl)sulfanylpentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.02884 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.03612 170.2
[M+Na]+ 359.01806 178.6
[M-H]- 335.02156 173.3
[M+NH4]+ 354.06266 185.6
[M+K]+ 374.99200 171.4
[M+H-H2O]+ 319.02610 164.1
[M+HCOO]- 381.02704 170.4
[M+CH3COO]- 395.04269 179.8
[M+Na-2H]- 357.00351 166.3
[M]+ 336.02829 174.3
[M]- 336.02939 174.3
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.