CID 5272780

Schembl9804030

Structural Information

Molecular Formula
C16H16N2OS
SMILES
CC1=NC2=CC=CC=C2C(=C1)OCCCC3=CC=NS3
InChI
InChI=1S/C16H16N2OS/c1-12-11-16(14-6-2-3-7-15(14)18-12)19-10-4-5-13-8-9-17-20-13/h2-3,6-9,11H,4-5,10H2,1H3
InChIKey
ZDKXLINMTHLMGA-UHFFFAOYSA-N
Compound name
5-[3-(2-methylquinolin-4-yl)oxypropyl]-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.09833 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 163.6
[M+Na]+ 307.08755 174.4
[M-H]- 283.09105 169.4
[M+NH4]+ 302.13215 180.6
[M+K]+ 323.06149 168.8
[M+H-H2O]+ 267.09559 155.5
[M+HCOO]- 329.09653 182.2
[M+CH3COO]- 343.11218 176.1
[M+Na-2H]- 305.07300 167.4
[M]+ 284.09778 170.0
[M]- 284.09888 170.0
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.