CID 218851

5-iodo-2-(4-(3-thiazolidinyl)butoxy)pyridine monohydrochloride

Structural Information

Molecular Formula
C12H17IN2OS
SMILES
C1CSCN1CCCCOC2=NC=C(C=C2)I
InChI
InChI=1S/C12H17IN2OS/c13-11-3-4-12(14-9-11)16-7-2-1-5-15-6-8-17-10-15/h3-4,9H,1-2,5-8,10H2
InChIKey
MPUXLRKGJROGTO-UHFFFAOYSA-N
Compound name
3-[4-(5-iodopyridin-2-yl)oxybutyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.01062 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.01790 163.4
[M+Na]+ 386.99984 163.1
[M-H]- 363.00334 159.7
[M+NH4]+ 382.04444 175.2
[M+K]+ 402.97378 165.5
[M+H-H2O]+ 347.00788 151.8
[M+HCOO]- 409.00882 174.2
[M+CH3COO]- 423.02447 199.5
[M+Na-2H]- 384.98529 152.2
[M]+ 364.01007 162.3
[M]- 364.01117 162.3
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

patents stripe