CID 5272779

Schembl9804018

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CC1=NC2=CC=CC=C2C(=C1)OCCCCCCC3=CC=NS3
InChI
InChI=1S/C19H22N2OS/c1-15-14-19(17-9-5-6-10-18(17)21-15)22-13-7-3-2-4-8-16-11-12-20-23-16/h5-6,9-12,14H,2-4,7-8,13H2,1H3
InChIKey
LXSNNWYEWPLCCN-UHFFFAOYSA-N
Compound name
5-[6-(2-methylquinolin-4-yl)oxyhexyl]-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.1453 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 176.9
[M+Na]+ 349.13452 186.3
[M-H]- 325.13802 182.1
[M+NH4]+ 344.17912 192.1
[M+K]+ 365.10846 180.0
[M+H-H2O]+ 309.14256 168.1
[M+HCOO]- 371.14350 194.4
[M+CH3COO]- 385.15915 188.0
[M+Na-2H]- 347.11997 179.2
[M]+ 326.14475 184.2
[M]- 326.14585 184.2
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.