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 172.4
[M+Na]+ 331.14169 177.2
[M-H]- 307.14519 177.8
[M+NH4]+ 326.18629 185.6
[M+K]+ 347.11563 173.4
[M+H-H2O]+ 291.14973 162.5
[M+HCOO]- 353.15067 192.8
[M+CH3COO]- 367.16632 209.1
[M+Na-2H]- 329.12714 178.4
[M]+ 308.15192 173.5
[M]- 308.15302 173.5
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.