CID 218885

3-(7-(5-iodo-2-pyridyloxy)heptyl)thiazolidine hydrochloride

Structural Information

Molecular Formula
C15H23IN2OS
SMILES
C1CSCN1CCCCCCCOC2=NC=C(C=C2)I
InChI
InChI=1S/C15H23IN2OS/c16-14-6-7-15(17-12-14)19-10-5-3-1-2-4-8-18-9-11-20-13-18/h6-7,12H,1-5,8-11,13H2
InChIKey
JOVKLMVLTMMGTE-UHFFFAOYSA-N
Compound name
3-[7-(5-iodopyridin-2-yl)oxyheptyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

406.0576 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.06488 177.0
[M+Na]+ 429.04682 175.4
[M-H]- 405.05032 172.8
[M+NH4]+ 424.09142 187.1
[M+K]+ 445.02076 177.1
[M+H-H2O]+ 389.05486 164.8
[M+HCOO]- 451.05580 186.8
[M+CH3COO]- 465.07145 207.8
[M+Na-2H]- 427.03227 164.3
[M]+ 406.05705 176.9
[M]- 406.05815 176.9
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