CID 218914

41288-16-8

Structural Information

Molecular Formula
C17H22N2OS
SMILES
CC1=CC(=NC2=CC=CC=C12)OCCCCN3CCSC3
InChI
InChI=1S/C17H22N2OS/c1-14-12-17(18-16-7-3-2-6-15(14)16)20-10-5-4-8-19-9-11-21-13-19/h2-3,6-7,12H,4-5,8-11,13H2,1H3
InChIKey
FLXIQLFBINXKNO-UHFFFAOYSA-N
Compound name
3-[4-(4-methylquinolin-2-yl)oxybutyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1453 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15258 170.6
[M+Na]+ 325.13452 177.8
[M-H]- 301.13802 175.0
[M+NH4]+ 320.17912 186.6
[M+K]+ 341.10846 172.7
[M+H-H2O]+ 285.14256 162.2
[M+HCOO]- 347.14350 184.7
[M+CH3COO]- 361.15915 181.1
[M+Na-2H]- 323.11997 171.2
[M]+ 302.14475 173.2
[M]- 302.14585 173.2
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.