CID 464271

2-pyridinone deriv. 23

Structural Information

Molecular Formula
C18H18N2O4
SMILES
CCC1=C(NC(=O)C(=C1)C(CN2C(=O)C3=CC=CC=C3C2=O)O)C
InChI
InChI=1S/C18H18N2O4/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/h4-8,15,21H,3,9H2,1-2H3,(H,19,22)
InChIKey
PTTZDJHIGODSAZ-UHFFFAOYSA-N
Compound name
2-[2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.12665 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13393 175.6
[M+Na]+ 349.11587 185.2
[M-H]- 325.11937 179.0
[M+NH4]+ 344.16047 188.9
[M+K]+ 365.08981 179.4
[M+H-H2O]+ 309.12391 167.9
[M+HCOO]- 371.12485 192.2
[M+CH3COO]- 385.14050 206.8
[M+Na-2H]- 347.10132 174.8
[M]+ 326.12610 176.9
[M]- 326.12720 176.9
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.