CID 218907

41288-12-4

Structural Information

Molecular Formula
C16H20N2O2S
SMILES
COC1=CC(=NC2=CC=CC=C21)OCCCN3CCSC3
InChI
InChI=1S/C16H20N2O2S/c1-19-15-11-16(17-14-6-3-2-5-13(14)15)20-9-4-7-18-8-10-21-12-18/h2-3,5-6,11H,4,7-10,12H2,1H3
InChIKey
PQSSZNQPCOJKJV-UHFFFAOYSA-N
Compound name
3-[3-(4-methoxyquinolin-2-yl)oxypropyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.12454 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.131816 169.5
[M+Na]+ 327.113758 176.8
[M-H]- 303.117264 174.0
[M+NH4]+ 322.158363 185.2
[M+K]+ 343.087698 172.6
[M+H-H2O]+ 287.121800 161.2
[M+HCOO]- 349.122741 184.0
[M+CH3COO]- 363.138391 180.2
[M+Na-2H]- 325.099206 170.7
[M]+ 304.12399142 173.1
[M]- 304.12508858 173.1
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.