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]+ 325.11828 173.8
[M+Na]+ 347.10022 184.2
[M-H]- 323.10372 178.5
[M+NH4]+ 342.14482 187.7
[M+K]+ 363.07416 178.5
[M+H-H2O]+ 307.10826 165.8
[M+HCOO]- 369.10920 192.1
[M+CH3COO]- 383.12485 208.3
[M+Na-2H]- 345.08567 173.4
[M]+ 324.11045 176.2
[M]- 324.11155 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.