CID 464260

2-pyridinone deriv. 10

Structural Information

Molecular Formula
C15H13N3O3
SMILES
CC1=CC=C(C(=O)N1)NCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H13N3O3/c1-9-6-7-12(13(19)17-9)16-8-18-14(20)10-4-2-3-5-11(10)15(18)21/h2-7,16H,8H2,1H3,(H,17,19)
InChIKey
HXBKNFJSPYLNBI-UHFFFAOYSA-N
Compound name
2-[[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.0957 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.102976 162.5
[M+Na]+ 306.084918 172.7
[M-H]- 282.088424 167.3
[M+NH4]+ 301.129523 177.8
[M+K]+ 322.058858 167.0
[M+H-H2O]+ 266.092960 154.4
[M+HCOO]- 328.093901 183.6
[M+CH3COO]- 342.109551 200.8
[M+Na-2H]- 304.070366 166.0
[M]+ 283.09515142 162.7
[M]- 283.09624858 162.7
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.