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 177.2
[M+Na]+ 359.09554 184.9
[M-H]- 335.09904 181.3
[M+NH4]+ 354.14014 192.5
[M+K]+ 375.06948 178.4
[M+H-H2O]+ 319.10358 169.1
[M+HCOO]- 381.10452 186.4
[M+CH3COO]- 395.12017 187.1
[M+Na-2H]- 357.08099 177.1
[M]+ 336.10577 181.6
[M]- 336.10687 181.6
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.