CID 4049187

109273-57-6

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=C(C(=O)NC(=C1)C2=CC=C(C=C2)OC)C#N
InChI
InChI=1S/C14H12N2O2/c1-9-7-13(16-14(17)12(9)8-15)10-3-5-11(18-2)6-4-10/h3-7H,1-2H3,(H,16,17)
InChIKey
LZUPLFIPQUHCPT-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 155.0
[M+Na]+ 263.07909 166.8
[M-H]- 239.08259 158.6
[M+NH4]+ 258.12369 169.1
[M+K]+ 279.05303 161.1
[M+H-H2O]+ 223.08713 140.9
[M+HCOO]- 285.08807 173.3
[M+CH3COO]- 299.10372 202.5
[M+Na-2H]- 261.06454 158.9
[M]+ 240.08932 150.8
[M]- 240.09042 150.8
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.