CID 5327543

2-pyridinone deriv. 24

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CCC1=C(NC(=O)C(=C1)/C=C/N2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C18H16N2O3/c1-3-12-10-13(16(21)19-11(12)2)8-9-20-17(22)14-6-4-5-7-15(14)18(20)23/h4-10H,3H2,1-2H3,(H,19,21)/b9-8+
InChIKey
JLIVEERJJOGSIC-CMDGGOBGSA-N
Compound name
2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

308.1161 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 171.7
[M+Na]+ 331.10532 182.8
[M-H]- 307.10882 176.4
[M+NH4]+ 326.14992 186.6
[M+K]+ 347.07926 175.8
[M+H-H2O]+ 291.11336 163.7
[M+HCOO]- 353.11430 190.9
[M+CH3COO]- 367.12995 204.5
[M+Na-2H]- 329.09077 172.2
[M]+ 308.11555 173.2
[M]- 308.11665 173.2
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.