CID 3008506

1-(8-amino-4-ethyl-5-isopropoxy-6-quinolyl)ethanone

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCC1=C2C(=C(C=C(C2=NC=C1)N)C(=O)C)OC(C)C
InChI
InChI=1S/C16H20N2O2/c1-5-11-6-7-18-15-13(17)8-12(10(4)19)16(14(11)15)20-9(2)3/h6-9H,5,17H2,1-4H3
InChIKey
DWBGUSQAVQLLQP-UHFFFAOYSA-N
Compound name
1-(8-amino-4-ethyl-5-propan-2-yloxyquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 164.8
[M+Na]+ 295.14169 173.1
[M-H]- 271.14519 168.0
[M+NH4]+ 290.18629 181.0
[M+K]+ 311.11563 169.8
[M+H-H2O]+ 255.14973 157.4
[M+HCOO]- 317.15067 184.6
[M+CH3COO]- 331.16632 206.5
[M+Na-2H]- 293.12714 166.7
[M]+ 272.15192 167.3
[M]- 272.15302 167.3
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.