CID 673713

N-(3-acetylphenyl)nicotinamide

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC(=O)C1=CC(=CC=C1)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C14H12N2O2/c1-10(17)11-4-2-6-13(8-11)16-14(18)12-5-3-7-15-9-12/h2-9H,1H3,(H,16,18)
InChIKey
VLNZENGMOKSDAH-UHFFFAOYSA-N
Compound name
N-(3-acetylphenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 153.0
[M+Na]+ 263.07909 159.7
[M-H]- 239.08259 158.5
[M+NH4]+ 258.12369 168.4
[M+K]+ 279.05303 156.4
[M+H-H2O]+ 223.08713 144.6
[M+HCOO]- 285.08807 176.0
[M+CH3COO]- 299.10372 194.2
[M+Na-2H]- 261.06454 158.5
[M]+ 240.08932 152.4
[M]- 240.09042 152.4
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.