CID 464266

2-pyridinone deriv. 17

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CCC1=C(NC(=O)C(=C1)NCCCN2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C19H21N3O3/c1-3-13-11-16(17(23)21-12(13)2)20-9-6-10-22-18(24)14-7-4-5-8-15(14)19(22)25/h4-5,7-8,11,20H,3,6,9-10H2,1-2H3,(H,21,23)
InChIKey
VZOHOCRUFIYIQX-UHFFFAOYSA-N
Compound name
2-[3-[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.1583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16558 180.9
[M+Na]+ 362.14752 190.1
[M-H]- 338.15102 185.3
[M+NH4]+ 357.19212 194.1
[M+K]+ 378.12146 183.6
[M+H-H2O]+ 322.15556 172.2
[M+HCOO]- 384.15650 200.5
[M+CH3COO]- 398.17215 214.0
[M+Na-2H]- 360.13297 181.6
[M]+ 339.15775 182.8
[M]- 339.15885 182.8
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.