CID 3038804

Thiazolidine, 3-(6-(3,5-dichloro-2-pyridyl)thiohexyl)-, hydrochloride

Structural Information

Molecular Formula
C14H20Cl2N2S2
SMILES
C1CSCN1CCCCCCSC2=C(C=C(C=N2)Cl)Cl
InChI
InChI=1S/C14H20Cl2N2S2/c15-12-9-13(16)14(17-10-12)20-7-4-2-1-3-5-18-6-8-19-11-18/h9-10H,1-8,11H2
InChIKey
AWWDTSXZNCPYEV-UHFFFAOYSA-N
Compound name
3-[6-(3,5-dichloropyridin-2-yl)sulfanylhexyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0445 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.05178 174.2
[M+Na]+ 373.03372 182.2
[M-H]- 349.03722 177.2
[M+NH4]+ 368.07832 189.1
[M+K]+ 389.00766 174.8
[M+H-H2O]+ 333.04176 167.9
[M+HCOO]- 395.04270 174.1
[M+CH3COO]- 409.05835 183.4
[M+Na-2H]- 371.01917 169.9
[M]+ 350.04395 178.6
[M]- 350.04505 178.6
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.