CID 218906

41288-11-3

Structural Information

Molecular Formula
C16H19ClN2OS
SMILES
CC1=CC(=NC2=C1C=CC=C2Cl)OCCCN3CCSC3
InChI
InChI=1S/C16H19ClN2OS/c1-12-10-15(18-16-13(12)4-2-5-14(16)17)20-8-3-6-19-7-9-21-11-19/h2,4-5,10H,3,6-9,11H2,1H3
InChIKey
CVYRSQBDFRORRD-UHFFFAOYSA-N
Compound name
3-[3-(8-chloro-4-methylquinolin-2-yl)oxypropyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09067 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09795 172.8
[M+Na]+ 345.07989 187.1
[M+NH4]+ 340.12449 182.4
[M+K]+ 361.05383 177.6
[M-H]- 321.08339 177.0
[M+Na-2H]- 343.06534 179.1
[M]+ 322.09012 176.9
[M]- 322.09122 176.9
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.