CID 15115857

N-benzyl-2-chloropyridine-4-carboxamide

Structural Information

Molecular Formula
C13H11ClN2O
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=C2)Cl
InChI
InChI=1S/C13H11ClN2O/c14-12-8-11(6-7-15-12)13(17)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKey
GPHOZXHUZVPYJC-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloropyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

246.05598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06326 152.6
[M+Na]+ 269.04520 160.5
[M-H]- 245.04870 157.7
[M+NH4]+ 264.08980 168.8
[M+K]+ 285.01914 155.2
[M+H-H2O]+ 229.05324 144.9
[M+HCOO]- 291.05418 171.8
[M+CH3COO]- 305.06983 192.7
[M+Na-2H]- 267.03065 159.3
[M]+ 246.05543 153.7
[M]- 246.05653 153.7
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

patents stripe