CID 218921

41288-20-4

Structural Information

Molecular Formula
C18H23ClN2OS
SMILES
CC1=CC(=NC2=C1C=C(C=C2)Cl)OCCCCCN3CCSC3
InChI
InChI=1S/C18H23ClN2OS/c1-14-11-18(20-17-6-5-15(19)12-16(14)17)22-9-4-2-3-7-21-8-10-23-13-21/h5-6,11-12H,2-4,7-10,13H2,1H3
InChIKey
SCFQINCABNYTFY-UHFFFAOYSA-N
Compound name
3-[5-(6-chloro-4-methylquinolin-2-yl)oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12195 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12923 181.7
[M+Na]+ 373.11117 195.5
[M+NH4]+ 368.15577 190.9
[M+K]+ 389.08511 185.6
[M-H]- 349.11467 185.7
[M+Na-2H]- 371.09662 187.4
[M]+ 350.12140 185.7
[M]- 350.12250 185.7
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.