CID 2305179

N-(2-chloroethyl)quinoline-2-carboxamide

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCCl
InChI
InChI=1S/C12H11ClN2O/c13-7-8-14-12(16)11-6-5-9-3-1-2-4-10(9)15-11/h1-6H,7-8H2,(H,14,16)
InChIKey
MOKRODNPAKJEMT-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

234.05598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06326 148.8
[M+Na]+ 257.04520 163.2
[M+NH4]+ 252.08980 157.9
[M+K]+ 273.01914 155.0
[M-H]- 233.04870 151.9
[M+Na-2H]- 255.03065 156.6
[M]+ 234.05543 152.0
[M]- 234.05653 152.0
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