CID 86586

2,3-pyrrolidinedione, 4-[(4-hydroxy-3-methoxyphenyl)methylene]-1-(2-phenylethyl)-

Structural Information

Molecular Formula
C20H19NO4
SMILES
COC1=C(C=CC(=C1)C=C2CN(C(=O)C2=O)CCC3=CC=CC=C3)O
InChI
InChI=1S/C20H19NO4/c1-25-18-12-15(7-8-17(18)22)11-16-13-21(20(24)19(16)23)10-9-14-5-3-2-4-6-14/h2-8,11-12,22H,9-10,13H2,1H3
InChIKey
AGPDVNNLRFLPIW-UHFFFAOYSA-N
Compound name
4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1314 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 178.9
[M+Na]+ 360.12062 186.7
[M-H]- 336.12412 186.4
[M+NH4]+ 355.16522 192.2
[M+K]+ 376.09456 181.0
[M+H-H2O]+ 320.12866 170.2
[M+HCOO]- 382.12960 199.0
[M+CH3COO]- 396.14525 207.9
[M+Na-2H]- 358.10607 177.7
[M]+ 337.13085 179.5
[M]- 337.13195 179.5
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.

Patent stripe

No patent data available for this compound.