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 177.0
[M+Na]+ 345.15734 181.4
[M-H]- 321.16084 182.1
[M+NH4]+ 340.20194 189.6
[M+K]+ 361.13128 177.3
[M+H-H2O]+ 305.16538 166.9
[M+HCOO]- 367.16632 197.0
[M+CH3COO]- 381.18197 212.0
[M+Na-2H]- 343.14279 182.5
[M]+ 322.16757 178.4
[M]- 322.16867 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.