CID 24706081

2-chloro-n-(quinolin-5-yl)propanamide

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
CC(C(=O)NC1=CC=CC2=C1C=CC=N2)Cl
InChI
InChI=1S/C12H11ClN2O/c1-8(13)12(16)15-11-6-2-5-10-9(11)4-3-7-14-10/h2-8H,1H3,(H,15,16)
InChIKey
KMLNZLIMQZFCHQ-UHFFFAOYSA-N
Compound name
2-chloro-N-quinolin-5-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05598 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06326 148.8
[M+Na]+ 257.04520 162.8
[M+NH4]+ 252.08980 157.7
[M+K]+ 273.01914 155.4
[M-H]- 233.04870 151.6
[M+Na-2H]- 255.03065 156.2
[M]+ 234.05543 151.9
[M]- 234.05653 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.