CID 218925

41288-22-6

Structural Information

Molecular Formula
C18H24N2OS
SMILES
CC1=CC(=NC2=CC=CC=C12)OCCCCCN3CCSC3
InChI
InChI=1S/C18H24N2OS/c1-15-13-18(19-17-8-4-3-7-16(15)17)21-11-6-2-5-9-20-10-12-22-14-20/h3-4,7-8,13H,2,5-6,9-12,14H2,1H3
InChIKey
CRWDWKPWIYSSBM-UHFFFAOYSA-N
Compound name
3-[5-(4-methylquinolin-2-yl)oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16095 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16823 175.0
[M+Na]+ 339.15017 181.7
[M-H]- 315.15367 179.1
[M+NH4]+ 334.19477 190.3
[M+K]+ 355.12411 176.4
[M+H-H2O]+ 299.15821 166.4
[M+HCOO]- 361.15915 188.6
[M+CH3COO]- 375.17480 185.0
[M+Na-2H]- 337.13562 175.0
[M]+ 316.16040 177.9
[M]- 316.16150 177.9
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.