CID 218895

Thiazolidine, 3-(5-(4-pyridyloxy)pentyl)-, dihydrochloride

Structural Information

Molecular Formula
C13H20N2OS
SMILES
C1CSCN1CCCCCOC2=CC=NC=C2
InChI
InChI=1S/C13H20N2OS/c1(2-8-15-9-11-17-12-15)3-10-16-13-4-6-14-7-5-13/h4-7H,1-3,8-12H2
InChIKey
MZMAPWDEKBZBKN-UHFFFAOYSA-N
Compound name
3-(5-pyridin-4-yloxypentyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12964 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13692 157.7
[M+Na]+ 275.11886 163.3
[M-H]- 251.12236 160.8
[M+NH4]+ 270.16346 174.2
[M+K]+ 291.09280 160.0
[M+H-H2O]+ 235.12690 149.2
[M+HCOO]- 297.12784 173.1
[M+CH3COO]- 311.14349 190.8
[M+Na-2H]- 273.10431 158.4
[M]+ 252.12909 159.2
[M]- 252.13019 159.2
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.