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]+ 241.097146 155.0
[M+Na]+ 263.079088 166.8
[M-H]- 239.082594 158.6
[M+NH4]+ 258.123693 169.1
[M+K]+ 279.053028 161.1
[M+H-H2O]+ 223.087130 140.9
[M+HCOO]- 285.088071 173.3
[M+CH3COO]- 299.103721 202.5
[M+Na-2H]- 261.064536 158.9
[M]+ 240.08932142 150.8
[M]- 240.09041858 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.