CID 3038737

Thiazolidine, 3-(4-(5-chloro-2-pyridyl)thiobutyl)-, hydrochloride

Structural Information

Molecular Formula
C12H17ClN2S2
SMILES
C1CSCN1CCCCSC2=NC=C(C=C2)Cl
InChI
InChI=1S/C12H17ClN2S2/c13-11-3-4-12(14-9-11)17-7-2-1-5-15-6-8-16-10-15/h3-4,9H,1-2,5-8,10H2
InChIKey
HLZNZQJBGFKRGX-UHFFFAOYSA-N
Compound name
3-[4-(5-chloropyridin-2-yl)sulfanylbutyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.05215 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05943 160.2
[M+Na]+ 311.04137 168.4
[M-H]- 287.04487 163.8
[M+NH4]+ 306.08597 177.0
[M+K]+ 327.01531 162.3
[M+H-H2O]+ 271.04941 153.6
[M+HCOO]- 333.05035 165.8
[M+CH3COO]- 347.06600 170.8
[M+Na-2H]- 309.02682 158.1
[M]+ 288.05160 163.0
[M]- 288.05270 163.0
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.