CID 218911

41288-14-6

Structural Information

Molecular Formula
C17H21ClN2OS
SMILES
C1CSCN1CCCCCOC2=NC3=CC=CC=C3C(=C2)Cl
InChI
InChI=1S/C17H21ClN2OS/c18-15-12-17(19-16-7-3-2-6-14(15)16)21-10-5-1-4-8-20-9-11-22-13-20/h2-3,6-7,12H,1,4-5,8-11,13H2
InChIKey
GADBVENGANJMAA-UHFFFAOYSA-N
Compound name
3-[5-(4-chloroquinolin-2-yl)oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.10632 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11360 176.9
[M+Na]+ 359.09554 190.6
[M+NH4]+ 354.14014 186.3
[M+K]+ 375.06948 180.7
[M-H]- 335.09904 180.9
[M+Na-2H]- 357.08099 183.1
[M]+ 336.10577 180.8
[M]- 336.10687 180.8
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.