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]+ 284.10298 162.5
[M+Na]+ 306.08492 172.7
[M-H]- 282.08842 167.3
[M+NH4]+ 301.12952 177.8
[M+K]+ 322.05886 167.0
[M+H-H2O]+ 266.09296 154.4
[M+HCOO]- 328.09390 183.6
[M+CH3COO]- 342.10955 200.8
[M+Na-2H]- 304.07037 166.0
[M]+ 283.09515 162.7
[M]- 283.09625 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.