CID 3038831

Thiazolidine, 3-(6-(2-quinolyl)thiohexyl)-, dihydrochloride, hydrate

Structural Information

Molecular Formula
C18H24N2S2
SMILES
C1CSCN1CCCCCCSC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H24N2S2/c1(5-11-20-12-14-21-15-20)2-6-13-22-18-10-9-16-7-3-4-8-17(16)19-18/h3-4,7-10H,1-2,5-6,11-15H2
InChIKey
RMHRZTCZAHLWCC-UHFFFAOYSA-N
Compound name
3-(6-quinolin-2-ylsulfanylhexyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1381 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14538 173.8
[M+Na]+ 355.12732 180.6
[M-H]- 331.13082 177.3
[M+NH4]+ 350.17192 188.9
[M+K]+ 371.10126 173.9
[M+H-H2O]+ 315.13536 166.1
[M+HCOO]- 377.13630 182.3
[M+CH3COO]- 391.15195 183.1
[M+Na-2H]- 353.11277 172.9
[M]+ 332.13755 176.1
[M]- 332.13865 176.1
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.