CID 3038820

Thiazolidine, 3-(8-(5-iodo-2-pyridyl)thiooctyl)-, hydrochloride

Structural Information

Molecular Formula
C16H25IN2S2
SMILES
C1CSCN1CCCCCCCCSC2=NC=C(C=C2)I
InChI
InChI=1S/C16H25IN2S2/c17-15-7-8-16(18-13-15)21-11-6-4-2-1-3-5-9-19-10-12-20-14-19/h7-8,13H,1-6,9-12,14H2
InChIKey
VWYXQCLCLWMDTM-UHFFFAOYSA-N
Compound name
3-[8-(5-iodopyridin-2-yl)sulfanyloctyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.05038 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.05766 180.4
[M+Na]+ 459.03960 179.4
[M-H]- 435.04310 176.0
[M+NH4]+ 454.08420 190.1
[M+K]+ 475.01354 179.2
[M+H-H2O]+ 419.04764 168.9
[M+HCOO]- 481.04858 185.0
[M+CH3COO]- 495.06423 212.8
[M+Na-2H]- 457.02505 165.8
[M]+ 436.04983 180.3
[M]- 436.05093 180.3
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.