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]+ 323.175396 177.0
[M+Na]+ 345.157338 181.4
[M-H]- 321.160844 182.1
[M+NH4]+ 340.201943 189.6
[M+K]+ 361.131278 177.3
[M+H-H2O]+ 305.165380 166.9
[M+HCOO]- 367.166321 197.0
[M+CH3COO]- 381.181971 212.0
[M+Na-2H]- 343.142786 182.5
[M]+ 322.16757142 178.4
[M]- 322.16866858 178.4
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.