CID 3038802

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

Structural Information

Molecular Formula
C13H19IN2S2
SMILES
C1CSCN1CCCCCSC2=NC=C(C=C2)I
InChI
InChI=1S/C13H19IN2S2/c14-12-4-5-13(15-10-12)18-8-3-1-2-6-16-7-9-17-11-16/h4-5,10H,1-3,6-9,11H2
InChIKey
CNCAOZQYZCBYTB-UHFFFAOYSA-N
Compound name
3-[5-(5-iodopyridin-2-yl)sulfanylpentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.00345 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.01073 167.6
[M+Na]+ 416.99267 167.9
[M-H]- 392.99617 163.8
[M+NH4]+ 412.03727 178.9
[M+K]+ 432.96661 168.4
[M+H-H2O]+ 377.00071 156.7
[M+HCOO]- 439.00165 173.1
[M+CH3COO]- 453.01730 204.6
[M+Na-2H]- 414.97812 154.3
[M]+ 394.00290 166.6
[M]- 394.00400 166.6
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.