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]+ 303.152576 170.6
[M+Na]+ 325.134518 177.8
[M-H]- 301.138024 175.0
[M+NH4]+ 320.179123 186.6
[M+K]+ 341.108458 172.7
[M+H-H2O]+ 285.142560 162.2
[M+HCOO]- 347.143501 184.7
[M+CH3COO]- 361.159151 181.1
[M+Na-2H]- 323.119966 171.2
[M]+ 302.14475142 173.2
[M]- 302.14584858 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.