CID 258762

8-acetamido-6-methoxyquinoline

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC(=O)NC1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C12H12N2O2/c1-8(15)14-11-7-10(16-2)6-9-4-3-5-13-12(9)11/h3-7H,1-2H3,(H,14,15)
InChIKey
IPXGUHRVSUTXKJ-UHFFFAOYSA-N
Compound name
N-(6-methoxyquinolin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

216.08987 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 145.7
[M+Na]+ 239.079088 154.2
[M-H]- 215.082594 149.3
[M+NH4]+ 234.123693 163.9
[M+K]+ 255.053028 151.6
[M+H-H2O]+ 199.087130 138.4
[M+HCOO]- 261.088071 168.5
[M+CH3COO]- 275.103721 191.0
[M+Na-2H]- 237.064536 153.4
[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

patents stripe