CID 3038788

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

Structural Information

Molecular Formula
C11H15IN2S2
SMILES
C1CSCN1CCCSC2=NC=C(C=C2)I
InChI
InChI=1S/C11H15IN2S2/c12-10-2-3-11(13-8-10)16-6-1-4-14-5-7-15-9-14/h2-3,8H,1,4-7,9H2
InChIKey
UCTJJAHALTZJJI-UHFFFAOYSA-N
Compound name
3-[3-(5-iodopyridin-2-yl)sulfanylpropyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.97214 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.97942 159.0
[M+Na]+ 388.96136 160.1
[M-H]- 364.96486 155.6
[M+NH4]+ 384.00596 171.3
[M+K]+ 404.93530 161.1
[M+H-H2O]+ 348.96940 148.5
[M+HCOO]- 410.97034 165.1
[M+CH3COO]- 424.98599 165.9
[M+Na-2H]- 386.94681 146.6
[M]+ 365.97159 157.4
[M]- 365.97269 157.4
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.