CID 673698

N-(4-acetylphenyl)nicotinamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

240.08987 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe