CID 3008494

1-(8-amino-5-methoxy-6-quinolyl)ethanone

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC(=O)C1=CC(=C2C(=C1OC)C=CC=N2)N
InChI
InChI=1S/C12H12N2O2/c1-7(15)9-6-10(13)11-8(12(9)16-2)4-3-5-14-11/h3-6H,13H2,1-2H3
InChIKey
QZSOMGFEPPXAPY-UHFFFAOYSA-N
Compound name
1-(8-amino-5-methoxyquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 146.2
[M+Na]+ 239.079088 155.6
[M-H]- 215.082594 149.6
[M+NH4]+ 234.123693 164.4
[M+K]+ 255.053028 152.7
[M+H-H2O]+ 199.087130 139.2
[M+HCOO]- 261.088071 168.4
[M+CH3COO]- 275.103721 192.3
[M+Na-2H]- 237.064536 152.1
[M]+ 216.08932142 147.5
[M]- 216.09041858 147.5
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.