CID 218923

41288-21-5

Structural Information

Molecular Formula
C18H23ClN2OS
SMILES
CC1=CC(=NC2=C1C=CC=C2Cl)OCCCCCN3CCSC3
InChI
InChI=1S/C18H23ClN2OS/c1-14-12-17(20-18-15(14)6-5-7-16(18)19)22-10-4-2-3-8-21-9-11-23-13-21/h5-7,12H,2-4,8-11,13H2,1H3
InChIKey
AHISGOSZUZMIHN-UHFFFAOYSA-N
Compound name
3-[5-(8-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 182.0
[M+Na]+ 373.11117 190.1
[M-H]- 349.11467 186.3
[M+NH4]+ 368.15577 197.1
[M+K]+ 389.08511 183.5
[M+H-H2O]+ 333.11921 174.0
[M+HCOO]- 395.12015 190.9
[M+CH3COO]- 409.13580 191.8
[M+Na-2H]- 371.09662 180.8
[M]+ 350.12140 187.2
[M]- 350.12250 187.2
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.