CID 218909

41288-13-5

Structural Information

Molecular Formula
C16H20N2OS
SMILES
CC1=CC(=NC2=CC=CC=C12)OCCCN3CCSC3
InChI
InChI=1S/C16H20N2OS/c1-13-11-16(17-15-6-3-2-5-14(13)15)19-9-4-7-18-8-10-20-12-18/h2-3,5-6,11H,4,7-10,12H2,1H3
InChIKey
GFYBKNSETUCRCQ-UHFFFAOYSA-N
Compound name
3-[3-(4-methylquinolin-2-yl)oxypropyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.12964 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13692 166.3
[M+Na]+ 311.11886 173.9
[M-H]- 287.12236 170.8
[M+NH4]+ 306.16346 182.8
[M+K]+ 327.09280 169.1
[M+H-H2O]+ 271.12690 158.1
[M+HCOO]- 333.12784 180.7
[M+CH3COO]- 347.14349 177.2
[M+Na-2H]- 309.10431 167.3
[M]+ 288.12909 168.6
[M]- 288.13019 168.6
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.