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]+ 217.09715 146.2
[M+Na]+ 239.07909 155.6
[M-H]- 215.08259 149.6
[M+NH4]+ 234.12369 164.4
[M+K]+ 255.05303 152.7
[M+H-H2O]+ 199.08713 139.2
[M+HCOO]- 261.08807 168.4
[M+CH3COO]- 275.10372 192.3
[M+Na-2H]- 237.06454 152.1
[M]+ 216.08932 147.5
[M]- 216.09042 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.