CID 218927

Brn 1134316

Structural Information

Molecular Formula
C19H26N2OS
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C)OCCCCCN3CCSC3
InChI
InChI=1S/C19H26N2OS/c1-15-6-7-18-17(12-15)16(2)13-19(20-18)22-10-5-3-4-8-21-9-11-23-14-21/h6-7,12-13H,3-5,8-11,14H2,1-2H3
InChIKey
KLZXYEFMBIATFN-UHFFFAOYSA-N
Compound name
3-[5-(4,6-dimethylquinolin-2-yl)oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17657 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18385 179.9
[M+Na]+ 353.16579 192.7
[M+NH4]+ 348.21039 188.7
[M+K]+ 369.13973 183.4
[M-H]- 329.16929 183.8
[M+Na-2H]- 351.15124 185.3
[M]+ 330.17602 183.4
[M]- 330.17712 183.4
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.