CID 464268

2-pyridinone deriv. 19

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CCC1=C(NC(=O)C(=C1)CN2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C17H16N2O3/c1-3-11-8-12(15(20)18-10(11)2)9-19-16(21)13-6-4-5-7-14(13)17(19)22/h4-8H,3,9H2,1-2H3,(H,18,20)
InChIKey
WRHYIAOIFSFLSE-UHFFFAOYSA-N
Compound name
2-[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.1161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 168.0
[M+Na]+ 319.10532 179.2
[M-H]- 295.10882 172.8
[M+NH4]+ 314.14992 183.5
[M+K]+ 335.07926 173.0
[M+H-H2O]+ 279.11336 160.1
[M+HCOO]- 341.11430 187.4
[M+CH3COO]- 355.12995 202.9
[M+Na-2H]- 317.09077 169.1
[M]+ 296.11555 170.0
[M]- 296.11665 170.0
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

No patent data available for this compound.