CID 3069812

1-(ethylphenylamino)-3-(8-quinolinyloxy)-2-propanol

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CCN(CC(COC1=CC=CC2=C1N=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2O2/c1-2-22(17-10-4-3-5-11-17)14-18(23)15-24-19-12-6-8-16-9-7-13-21-20(16)19/h3-13,18,23H,2,14-15H2,1H3
InChIKey
AGJGHKFBYHGVTE-UHFFFAOYSA-N
Compound name
1-(N-ethylanilino)-3-quinolin-8-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 177.8
[M+Na]+ 345.15734 191.7
[M+NH4]+ 340.20194 186.0
[M+K]+ 361.13128 183.4
[M-H]- 321.16084 183.0
[M+Na-2H]- 343.14279 186.8
[M]+ 322.16757 181.3
[M]- 322.16867 181.3
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.