CID 464259

2-pyridinone deriv. 9

Structural Information

Molecular Formula
C14H11N3O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CNC3=CC=CNC3=O
InChI
InChI=1S/C14H11N3O3/c18-12-11(6-3-7-15-12)16-8-17-13(19)9-4-1-2-5-10(9)14(17)20/h1-7,16H,8H2,(H,15,18)
InChIKey
CIFQUFQGBMIGFT-UHFFFAOYSA-N
Compound name
2-[[(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

269.08005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 157.5
[M+Na]+ 292.06927 167.2
[M-H]- 268.07277 162.0
[M+NH4]+ 287.11387 173.0
[M+K]+ 308.04321 161.7
[M+H-H2O]+ 252.07731 149.2
[M+HCOO]- 314.07825 179.0
[M+CH3COO]- 328.09390 196.5
[M+Na-2H]- 290.05472 162.3
[M]+ 269.07950 156.9
[M]- 269.08060 156.9
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.