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

literature stripe

Patent stripe

patents stripe