CID 339513

Acetamide, n-(2-chloro-4-methyl-7-quinolinyl)-

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
CC1=CC(=NC2=C1C=CC(=C2)NC(=O)C)Cl
InChI
InChI=1S/C12H11ClN2O/c1-7-5-12(13)15-11-6-9(14-8(2)16)3-4-10(7)11/h3-6H,1-2H3,(H,14,16)
InChIKey
WFSRZTXJXDKZLC-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-methylquinolin-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.05598 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06326 148.9
[M+Na]+ 257.04520 159.3
[M-H]- 233.04870 152.6
[M+NH4]+ 252.08980 167.7
[M+K]+ 273.01914 154.3
[M+H-H2O]+ 217.05324 142.8
[M+HCOO]- 279.05418 166.9
[M+CH3COO]- 293.06983 193.9
[M+Na-2H]- 255.03065 155.4
[M]+ 234.05543 151.8
[M]- 234.05653 151.8
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.