CID 218917

Brn 1134404

Structural Information

Molecular Formula
C17H22N2O2S
SMILES
CC1=CC(=NC2=C1C=C(C=C2)OC)OCCCN3CCSC3
InChI
InChI=1S/C17H22N2O2S/c1-13-10-17(21-8-3-6-19-7-9-22-12-19)18-16-5-4-14(20-2)11-15(13)16/h4-5,10-11H,3,6-9,12H2,1-2H3
InChIKey
HSCDRQYKRDWPKB-UHFFFAOYSA-N
Compound name
3-[3-(6-methoxy-4-methylquinolin-2-yl)oxypropyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1402 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14748 174.3
[M+Na]+ 341.12942 182.0
[M-H]- 317.13292 179.0
[M+NH4]+ 336.17402 189.8
[M+K]+ 357.10336 177.6
[M+H-H2O]+ 301.13746 166.0
[M+HCOO]- 363.13840 188.4
[M+CH3COO]- 377.15405 184.9
[M+Na-2H]- 339.11487 174.3
[M]+ 318.13965 178.7
[M]- 318.14075 178.7
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.