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]+ 273.159746 165.3
[M+Na]+ 295.141688 174.4
[M-H]- 271.145194 168.8
[M+NH4]+ 290.186293 181.8
[M+K]+ 311.115628 171.2
[M+H-H2O]+ 255.149730 158.6
[M+HCOO]- 317.150671 184.5
[M+CH3COO]- 331.166321 205.4
[M+Na-2H]- 293.127136 169.2
[M]+ 272.15192142 167.9
[M]- 272.15301858 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

literature stripe

Patent stripe

No patent data available for this compound.