CID 464269

2-pyridinone deriv. 21

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CCC1=C(NC(=O)C(=C1)CCCN2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C19H20N2O3/c1-3-13-11-14(17(22)20-12(13)2)7-6-10-21-18(23)15-8-4-5-9-16(15)19(21)24/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,22)
InChIKey
UBKKOOMDNOKHSD-UHFFFAOYSA-N
Compound name
2-[3-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 177.1
[M+Na]+ 347.13662 187.4
[M-H]- 323.14012 181.6
[M+NH4]+ 342.18122 191.4
[M+K]+ 363.11056 180.8
[M+H-H2O]+ 307.14466 168.8
[M+HCOO]- 369.14560 195.8
[M+CH3COO]- 383.16125 208.8
[M+Na-2H]- 345.12207 177.1
[M]+ 324.14685 179.8
[M]- 324.14795 179.8
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.