CID 2939538

4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(furan-2-yl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C23H18N2O6
SMILES
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CO5)O
InChI
InChI=1S/C23H18N2O6/c26-21(15-5-6-16-18(11-15)31-10-9-30-16)19-20(17-4-2-8-29-17)25(23(28)22(19)27)13-14-3-1-7-24-12-14/h1-8,11-12,20,26H,9-10,13H2
InChIKey
KZGLEJBSNWHWRU-UHFFFAOYSA-N
Compound name
4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1165 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12378 195.6
[M+Na]+ 441.10572 208.6
[M+NH4]+ 436.15032 200.7
[M+K]+ 457.07966 207.8
[M-H]- 417.10922 203.9
[M+Na-2H]- 439.09117 199.6
[M]+ 418.11595 199.6
[M]- 418.11705 199.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

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No patent data available for this compound.