CID 218849

3-(4-(5-chloro-2-pyridyloxy)butyl)thiazolidine hydrochloride

Structural Information

Molecular Formula
C12H17ClN2OS
SMILES
C1CSCN1CCCCOC2=NC=C(C=C2)Cl
InChI
InChI=1S/C12H17ClN2OS/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
OFZZEFLEJIZLLA-UHFFFAOYSA-N
Compound name
3-[4-(5-chloropyridin-2-yl)oxybutyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.075 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08228 159.8
[M+Na]+ 295.06422 167.3
[M-H]- 271.06772 163.3
[M+NH4]+ 290.10882 176.6
[M+K]+ 311.03816 162.6
[M+H-H2O]+ 255.07226 152.2
[M+HCOO]- 317.07320 170.8
[M+CH3COO]- 331.08885 192.6
[M+Na-2H]- 293.04967 159.8
[M]+ 272.07445 163.1
[M]- 272.07555 163.1
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