CID 4362016

4-methyl-6-(4-methylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

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 152.5
[M+Na]+ 247.08418 164.4
[M-H]- 223.08768 156.1
[M+NH4]+ 242.12878 167.3
[M+K]+ 263.05812 158.2
[M+H-H2O]+ 207.09222 138.7
[M+HCOO]- 269.09316 170.7
[M+CH3COO]- 283.10881 200.6
[M+Na-2H]- 245.06963 156.4
[M]+ 224.09441 147.1
[M]- 224.09551 147.1
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.