CID 3038829

Thiazolidine, 3-(5-(4-methyl-2-quinolyl)thiopentyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H24N2S2
SMILES
CC1=CC(=NC2=CC=CC=C12)SCCCCCN3CCSC3
InChI
InChI=1S/C18H24N2S2/c1-15-13-18(19-17-8-4-3-7-16(15)17)22-11-6-2-5-9-20-10-12-21-14-20/h3-4,7-8,13H,2,5-6,9-12,14H2,1H3
InChIKey
WUNKRORDMYTAHK-UHFFFAOYSA-N
Compound name
3-[5-(4-methylquinolin-2-yl)sulfanylpentyl]-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 174.3
[M+Na]+ 355.12732 181.9
[M-H]- 331.13082 178.2
[M+NH4]+ 350.17192 189.7
[M+K]+ 371.10126 175.2
[M+H-H2O]+ 315.13536 166.9
[M+HCOO]- 377.13630 182.8
[M+CH3COO]- 391.15195 184.0
[M+Na-2H]- 353.11277 172.8
[M]+ 332.13755 177.1
[M]- 332.13865 177.1
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.