CID 3038808

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

Structural Information

Molecular Formula
C14H21ClN2S2
SMILES
C1CSCN1CCCCCCSC2=NC=C(C=C2)Cl
InChI
InChI=1S/C14H21ClN2S2/c15-13-5-6-14(16-11-13)19-9-4-2-1-3-7-17-8-10-18-12-17/h5-6,11H,1-4,7-10,12H2
InChIKey
WAASBORCVKQDNJ-UHFFFAOYSA-N
Compound name
3-[6-(5-chloropyridin-2-yl)sulfanylhexyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.08347 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09075 168.3
[M+Na]+ 339.07269 175.6
[M-H]- 315.07619 171.5
[M+NH4]+ 334.11729 184.0
[M+K]+ 355.04663 169.0
[M+H-H2O]+ 299.08073 161.3
[M+HCOO]- 361.08167 173.3
[M+CH3COO]- 375.09732 178.1
[M+Na-2H]- 337.05814 165.4
[M]+ 316.08292 171.8
[M]- 316.08402 171.8
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.