CID 593504

41956-72-3

Structural Information

Molecular Formula
C17H22N2S2
SMILES
C1CSCN1CCCCCSC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H22N2S2/c1(4-10-19-11-13-20-14-19)5-12-21-17-9-8-15-6-2-3-7-16(15)18-17/h2-3,6-9H,1,4-5,10-14H2
InChIKey
QXWGCZMONNFRFM-UHFFFAOYSA-N
Compound name
3-(5-quinolin-2-ylsulfanylpentyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.12244 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12972 169.7
[M+Na]+ 341.11166 177.0
[M-H]- 317.11516 173.5
[M+NH4]+ 336.15626 185.4
[M+K]+ 357.08560 170.5
[M+H-H2O]+ 301.11970 162.3
[M+HCOO]- 363.12064 178.6
[M+CH3COO]- 377.13629 179.5
[M+Na-2H]- 339.09711 169.3
[M]+ 318.12189 171.8
[M]- 318.12299 171.8
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.