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 148.7
[M+Na]+ 257.04520 156.9
[M-H]- 233.04870 151.7
[M+NH4]+ 252.08980 166.8
[M+K]+ 273.01914 152.3
[M+H-H2O]+ 217.05324 142.2
[M+HCOO]- 279.05418 165.8
[M+CH3COO]- 293.06983 192.4
[M+Na-2H]- 255.03065 155.5
[M]+ 234.05543 150.2
[M]- 234.05653 150.2
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.