CID 3038794

Thiazolidine, 3-(4-(5-iodo-2-pyridyl)thiobutyl)-, hydrochloride

Structural Information

Molecular Formula
C12H17IN2S2
SMILES
C1CSCN1CCCCSC2=NC=C(C=C2)I
InChI
InChI=1S/C12H17IN2S2/c13-11-3-4-12(14-9-11)17-7-2-1-5-15-6-8-16-10-15/h3-4,9H,1-2,5-8,10H2
InChIKey
FRUFVHGFYYPABL-UHFFFAOYSA-N
Compound name
3-[4-(5-iodopyridin-2-yl)sulfanylbutyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.9878 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.99508 163.3
[M+Na]+ 402.97702 164.0
[M-H]- 378.98052 159.7
[M+NH4]+ 398.02162 175.1
[M+K]+ 418.95096 164.7
[M+H-H2O]+ 362.98506 152.6
[M+HCOO]- 424.98600 169.1
[M+CH3COO]- 439.00165 169.8
[M+Na-2H]- 400.96247 150.5
[M]+ 379.98725 162.0
[M]- 379.98835 162.0
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.