CID 3069811

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

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CN(CC(COC1=CC=CC2=C1N=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c1-21(16-9-3-2-4-10-16)13-17(22)14-23-18-11-5-7-15-8-6-12-20-19(15)18/h2-12,17,22H,13-14H2,1H3
InChIKey
NIOLODGIVRALIV-UHFFFAOYSA-N
Compound name
1-(N-methylanilino)-3-quinolin-8-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 173.2
[M+Na]+ 331.14169 187.4
[M+NH4]+ 326.18629 181.6
[M+K]+ 347.11563 179.3
[M-H]- 307.14519 178.5
[M+Na-2H]- 329.12714 182.5
[M]+ 308.15192 176.8
[M]- 308.15302 176.8
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.