CID 3038816

Thiazolidine, 3-(7-(5-iodo-2-pyridyl)thioheptyl)-, hydrochloride

Structural Information

Molecular Formula
C15H23IN2S2
SMILES
C1CSCN1CCCCCCCSC2=NC=C(C=C2)I
InChI
InChI=1S/C15H23IN2S2/c16-14-6-7-15(17-12-14)20-10-5-3-1-2-4-8-18-9-11-19-13-18/h6-7,12H,1-5,8-11,13H2
InChIKey
JBZJYFZTLDIXPD-UHFFFAOYSA-N
Compound name
3-[7-(5-iodopyridin-2-yl)sulfanylheptyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.03473 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.04201 176.2
[M+Na]+ 445.02395 175.6
[M-H]- 421.02745 172.0
[M+NH4]+ 440.06855 186.4
[M+K]+ 460.99789 175.6
[M+H-H2O]+ 405.03199 164.9
[M+HCOO]- 467.03293 181.0
[M+CH3COO]- 481.04858 210.0
[M+Na-2H]- 443.00940 162.0
[M]+ 422.03418 175.8
[M]- 422.03528 175.8
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.