CID 3038810

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

Structural Information

Molecular Formula
C14H21IN2S2
SMILES
C1CSCN1CCCCCCSC2=NC=C(C=C2)I
InChI
InChI=1S/C14H21IN2S2/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
WADNHROHLQEUOW-UHFFFAOYSA-N
Compound name
3-[6-(5-iodopyridin-2-yl)sulfanylhexyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0191 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.02638 171.9
[M+Na]+ 431.00832 171.7
[M-H]- 407.01182 167.9
[M+NH4]+ 426.05292 182.6
[M+K]+ 446.98226 172.0
[M+H-H2O]+ 391.01636 160.8
[M+HCOO]- 453.01730 177.1
[M+CH3COO]- 467.03295 207.3
[M+Na-2H]- 428.99377 158.1
[M]+ 408.01855 171.2
[M]- 408.01965 171.2
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.