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

literature stripe

Patent stripe

patents stripe