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 152.6
[M+Na]+ 269.04520 161.5
[M-H]- 245.04870 158.2
[M+NH4]+ 264.08980 169.2
[M+K]+ 285.01914 156.2
[M+H-H2O]+ 229.05324 145.2
[M+HCOO]- 291.05418 171.9
[M+CH3COO]- 305.06983 193.9
[M+Na-2H]- 267.03065 158.6
[M]+ 246.05543 154.1
[M]- 246.05653 154.1
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.