CID 464270

2-pyridinone deriv. 22

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CCC1=C(NC(=O)C(=C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C18H16N2O4/c1-3-11-8-14(16(22)19-10(11)2)15(21)9-20-17(23)12-6-4-5-7-13(12)18(20)24/h4-8H,3,9H2,1-2H3,(H,19,22)
InChIKey
HLRFMCMWPVUBCB-UHFFFAOYSA-N
Compound name
2-[2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)-2-oxoethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.111 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 173.8
[M+Na]+ 347.100218 184.2
[M-H]- 323.103724 178.5
[M+NH4]+ 342.144823 187.7
[M+K]+ 363.074158 178.5
[M+H-H2O]+ 307.108260 165.8
[M+HCOO]- 369.109201 192.1
[M+CH3COO]- 383.124851 208.3
[M+Na-2H]- 345.085666 173.4
[M]+ 324.11045142 176.2
[M]- 324.11154858 176.2
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.