CID 459680

1-(2-hydroxyethoxy)-3-[(6-methoxy-8-quinolyl)amino]propan-2-ol

Structural Information

Molecular Formula
C15H20N2O4
SMILES
COC1=CC(=C2C(=C1)C=CC=N2)NCC(COCCO)O
InChI
InChI=1S/C15H20N2O4/c1-20-13-7-11-3-2-4-16-15(11)14(8-13)17-9-12(19)10-21-6-5-18/h2-4,7-8,12,17-19H,5-6,9-10H2,1H3
InChIKey
RFSPSYXEWYVLLX-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxy)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 166.0
[M+Na]+ 315.13152 171.5
[M-H]- 291.13502 166.0
[M+NH4]+ 310.17612 179.4
[M+K]+ 331.10546 168.5
[M+H-H2O]+ 275.13956 158.0
[M+HCOO]- 337.14050 184.9
[M+CH3COO]- 351.15615 201.0
[M+Na-2H]- 313.11697 171.4
[M]+ 292.14175 168.8
[M]- 292.14285 168.8
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.