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]+ 247.063256 152.6
[M+Na]+ 269.045198 161.5
[M-H]- 245.048704 158.2
[M+NH4]+ 264.089803 169.2
[M+K]+ 285.019138 156.2
[M+H-H2O]+ 229.053240 145.2
[M+HCOO]- 291.054181 171.9
[M+CH3COO]- 305.069831 193.9
[M+Na-2H]- 267.030646 158.6
[M]+ 246.05543142 154.1
[M]- 246.05652858 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.