CID 464261

2-pyridinone deriv. 11

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CC1=C(NC(=O)C(=C1)NCN2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C16H15N3O3/c1-9-7-13(14(20)18-10(9)2)17-8-19-15(21)11-5-3-4-6-12(11)16(19)22/h3-7,17H,8H2,1-2H3,(H,18,20)
InChIKey
JGKIDJCGRZNKHS-UHFFFAOYSA-N
Compound name
2-[[(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)amino]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

297.11133 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 167.4
[M+Na]+ 320.10055 178.1
[M-H]- 296.10405 172.4
[M+NH4]+ 315.14515 182.5
[M+K]+ 336.07449 172.2
[M+H-H2O]+ 280.10859 159.4
[M+HCOO]- 342.10953 188.2
[M+CH3COO]- 356.12518 205.1
[M+Na-2H]- 318.08600 169.7
[M]+ 297.11078 168.4
[M]- 297.11188 168.4
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.