CID 218912

Brn 1127950

Structural Information

Molecular Formula
C17H22N2OS
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C)OCCCN3CCSC3
InChI
InChI=1S/C17H22N2OS/c1-13-4-5-16-15(10-13)14(2)11-17(18-16)20-8-3-6-19-7-9-21-12-19/h4-5,10-11H,3,6-9,12H2,1-2H3
InChIKey
KGLCGIINOLSTEG-UHFFFAOYSA-N
Compound name
3-[3-(4,6-dimethylquinolin-2-yl)oxypropyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1453 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15258 171.1
[M+Na]+ 325.13452 179.1
[M-H]- 301.13802 175.8
[M+NH4]+ 320.17912 187.3
[M+K]+ 341.10846 174.0
[M+H-H2O]+ 285.14256 162.9
[M+HCOO]- 347.14350 185.0
[M+CH3COO]- 361.15915 181.8
[M+Na-2H]- 323.11997 170.9
[M]+ 302.14475 174.1
[M]- 302.14585 174.1
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.