CID 218929

41288-25-9

Structural Information

Molecular Formula
C19H26N2OS
SMILES
CC1=CC(=NC2=CC=CC=C12)OCCCCCCN3CCSC3
InChI
InChI=1S/C19H26N2OS/c1-16-14-19(20-18-9-5-4-8-17(16)18)22-12-7-3-2-6-10-21-11-13-23-15-21/h4-5,8-9,14H,2-3,6-7,10-13,15H2,1H3
InChIKey
AABLFXHMBBVNLW-UHFFFAOYSA-N
Compound name
3-[6-(4-methylquinolin-2-yl)oxyhexyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17657 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18385 179.3
[M+Na]+ 353.16579 185.5
[M-H]- 329.16929 183.2
[M+NH4]+ 348.21039 194.1
[M+K]+ 369.13973 180.0
[M+H-H2O]+ 313.17383 170.5
[M+HCOO]- 375.17477 192.6
[M+CH3COO]- 389.19042 188.8
[M+Na-2H]- 351.15124 178.8
[M]+ 330.17602 182.5
[M]- 330.17712 182.5
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.