CID 464262

2-pyridinone deriv. 12

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CCCC1=C(NC(=O)C(=C1)NCN2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C18H19N3O3/c1-3-6-12-9-15(16(22)20-11(12)2)19-10-21-17(23)13-7-4-5-8-14(13)18(21)24/h4-5,7-9,19H,3,6,10H2,1-2H3,(H,20,22)
InChIKey
NKKNLQBFWFWENA-UHFFFAOYSA-N
Compound name
2-[[(6-methyl-2-oxo-5-propyl-1H-pyridin-3-yl)amino]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

325.14264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 176.4
[M+Na]+ 348.13186 186.1
[M-H]- 324.13536 181.0
[M+NH4]+ 343.17646 190.3
[M+K]+ 364.10580 179.8
[M+H-H2O]+ 308.13990 168.0
[M+HCOO]- 370.14084 196.4
[M+CH3COO]- 384.15649 211.1
[M+Na-2H]- 346.11731 177.6
[M]+ 325.14209 178.0
[M]- 325.14319 178.0
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.