CID 218879

41287-96-1

Structural Information

Molecular Formula
C14H22N2OS2
SMILES
CSC1=CN=C(C=C1)OCCCCCN2CCSC2
InChI
InChI=1S/C14H22N2OS2/c1-18-13-5-6-14(15-11-13)17-9-4-2-3-7-16-8-10-19-12-16/h5-6,11H,2-4,7-10,12H2,1H3
InChIKey
BSDZWSGVFCZSDP-UHFFFAOYSA-N
Compound name
3-[5-(5-methylsulfanylpyridin-2-yl)oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.11737 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12465 165.8
[M+Na]+ 321.10659 172.5
[M-H]- 297.11009 169.0
[M+NH4]+ 316.15119 181.3
[M+K]+ 337.08053 167.6
[M+H-H2O]+ 281.11463 158.2
[M+HCOO]- 343.11557 175.7
[M+CH3COO]- 357.13122 199.3
[M+Na-2H]- 319.09204 163.5
[M]+ 298.11682 169.1
[M]- 298.11792 169.1
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

No patent data available for this compound.