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

literature stripe

Patent stripe

patents stripe