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]+ 273.159746 164.8
[M+Na]+ 295.141688 173.1
[M-H]- 271.145194 168.0
[M+NH4]+ 290.186293 181.0
[M+K]+ 311.115628 169.8
[M+H-H2O]+ 255.149730 157.4
[M+HCOO]- 317.150671 184.6
[M+CH3COO]- 331.166321 206.5
[M+Na-2H]- 293.127136 166.7
[M]+ 272.15192142 167.3
[M]- 272.15301858 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

literature stripe

Patent stripe

No patent data available for this compound.