CID 3022121

3-pyridinecarboxamide, n-(4-chlorophenyl)-2-methyl-

Structural Information

Molecular Formula
C13H11ClN2O
SMILES
CC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11ClN2O/c1-9-12(3-2-8-15-9)13(17)16-11-6-4-10(14)5-7-11/h2-8H,1H3,(H,16,17)
InChIKey
YJNHDQGKCZFJER-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.05598 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06326 153.2
[M+Na]+ 269.04520 168.7
[M+NH4]+ 264.08980 162.0
[M+K]+ 285.01914 160.5
[M-H]- 245.04870 157.9
[M+Na-2H]- 267.03065 163.1
[M]+ 246.05543 157.1
[M]- 246.05653 157.1
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.