CID 4362016

477320-28-8

Structural Information

Molecular Formula
C14H12N2O
SMILES
CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C
InChI
InChI=1S/C14H12N2O/c1-9-3-5-11(6-4-9)13-7-10(2)12(8-15)14(17)16-13/h3-7H,1-2H3,(H,16,17)
InChIKey
JKHNDFXCJABXEV-UHFFFAOYSA-N
Compound name
4-methyl-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 151.1
[M+Na]+ 247.08418 166.0
[M+NH4]+ 242.12878 155.8
[M+K]+ 263.05812 155.4
[M-H]- 223.08768 147.5
[M+Na-2H]- 245.06963 157.0
[M]+ 224.09441 151.5
[M]- 224.09551 151.5
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.