CID 464263

2-pyridinone deriv. 13

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CCCCC1=C(NC(=O)C(=C1)NCN2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C19H21N3O3/c1-3-4-7-13-10-16(17(23)21-12(13)2)20-11-22-18(24)14-8-5-6-9-15(14)19(22)25/h5-6,8-10,20H,3-4,7,11H2,1-2H3,(H,21,23)
InChIKey
KZLKQBBVGVVMHM-UHFFFAOYSA-N
Compound name
2-[[(5-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

339.1583 Da
Monoisotopic Mass

3.0
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

patents stripe