CID 3008496

1-(8-amino-2-tert-butyl-5-methoxy-6-quinolyl)ethanone

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC(=O)C1=CC(=C2C(=C1OC)C=CC(=N2)C(C)(C)C)N
InChI
InChI=1S/C16H20N2O2/c1-9(19)11-8-12(17)14-10(15(11)20-5)6-7-13(18-14)16(2,3)4/h6-8H,17H2,1-5H3
InChIKey
GGUMXJCTVBUACL-UHFFFAOYSA-N
Compound name
1-(8-amino-2-tert-butyl-5-methoxyquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 165.3
[M+Na]+ 295.14169 174.4
[M-H]- 271.14519 168.8
[M+NH4]+ 290.18629 181.8
[M+K]+ 311.11563 171.2
[M+H-H2O]+ 255.14973 158.6
[M+HCOO]- 317.15067 184.5
[M+CH3COO]- 331.16632 205.4
[M+Na-2H]- 293.12714 169.2
[M]+ 272.15192 167.9
[M]- 272.15302 167.9
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.