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]+ 303.152576 171.1
[M+Na]+ 325.134518 179.1
[M-H]- 301.138024 175.8
[M+NH4]+ 320.179123 187.3
[M+K]+ 341.108458 174.0
[M+H-H2O]+ 285.142560 162.9
[M+HCOO]- 347.143501 185.0
[M+CH3COO]- 361.159151 181.8
[M+Na-2H]- 323.119966 170.9
[M]+ 302.14475142 174.1
[M]- 302.14584858 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.