CID 218864

41287-86-9

Structural Information

Molecular Formula
C13H19ClN2OS
SMILES
C1CSCN1CCCCCOC2=NC=C(C=C2)Cl
InChI
InChI=1S/C13H19ClN2OS/c14-12-4-5-13(15-10-12)17-8-3-1-2-6-16-7-9-18-11-16/h4-5,10H,1-3,6-9,11H2
InChIKey
OLGNEAVKGYQUIF-UHFFFAOYSA-N
Compound name
3-[5-(5-chloropyridin-2-yl)oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.09067 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09795 164.1
[M+Na]+ 309.07989 171.2
[M-H]- 285.08339 167.5
[M+NH4]+ 304.12449 180.4
[M+K]+ 325.05383 166.2
[M+H-H2O]+ 269.08793 156.3
[M+HCOO]- 331.08887 174.8
[M+CH3COO]- 345.10452 195.5
[M+Na-2H]- 307.06534 163.6
[M]+ 286.09012 167.7
[M]- 286.09122 167.7
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