CID 218926

41288-23-7

Structural Information

Molecular Formula
C18H24N2O2S
SMILES
COC1=CC(=NC2=CC=CC=C21)OCCCCCN3CCSC3
InChI
InChI=1S/C18H24N2O2S/c1-21-17-13-18(19-16-8-4-3-7-15(16)17)22-11-6-2-5-9-20-10-12-23-14-20/h3-4,7-8,13H,2,5-6,9-12,14H2,1H3
InChIKey
KDVLRIYIQASACC-UHFFFAOYSA-N
Compound name
3-[5-(4-methoxyquinolin-2-yl)oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.15585 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16313 178.1
[M+Na]+ 355.14507 184.5
[M-H]- 331.14857 182.2
[M+NH4]+ 350.18967 192.7
[M+K]+ 371.11901 179.9
[M+H-H2O]+ 315.15311 169.4
[M+HCOO]- 377.15405 192.0
[M+CH3COO]- 391.16970 187.9
[M+Na-2H]- 353.13052 178.3
[M]+ 332.15530 182.4
[M]- 332.15640 182.4
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.