CID 218883

41287-98-3

Structural Information

Molecular Formula
C15H23ClN2OS
SMILES
C1CSCN1CCCCCCCOC2=NC=C(C=C2)Cl
InChI
InChI=1S/C15H23ClN2OS/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
USGGFJHZTGORJB-UHFFFAOYSA-N
Compound name
3-[7-(5-chloropyridin-2-yl)oxyheptyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12195 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12923 172.7
[M+Na]+ 337.11117 178.9
[M-H]- 313.11467 175.7
[M+NH4]+ 332.15577 187.8
[M+K]+ 353.08511 173.4
[M+H-H2O]+ 297.11921 164.5
[M+HCOO]- 359.12015 182.7
[M+CH3COO]- 373.13580 201.4
[M+Na-2H]- 335.09662 171.2
[M]+ 314.12140 177.0
[M]- 314.12250 177.0
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.