CID 86585

2,3-pyrrolidinedione, 4-((4-hydroxyphenyl)methylene)-1-(2-phenylethyl)-

Structural Information

Molecular Formula
C19H17NO3
SMILES
C1C(=CC2=CC=C(C=C2)O)C(=O)C(=O)N1CCC3=CC=CC=C3
InChI
InChI=1S/C19H17NO3/c21-17-8-6-15(7-9-17)12-16-13-20(19(23)18(16)22)11-10-14-4-2-1-3-5-14/h1-9,12,21H,10-11,13H2
InChIKey
CQRXJOQMCAPGOL-UHFFFAOYSA-N
Compound name
4-[(4-hydroxyphenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 171.8
[M+Na]+ 330.11007 179.3
[M-H]- 306.11357 179.1
[M+NH4]+ 325.15467 186.2
[M+K]+ 346.08401 173.2
[M+H-H2O]+ 290.11811 163.2
[M+HCOO]- 352.11905 192.1
[M+CH3COO]- 366.13470 201.4
[M+Na-2H]- 328.09552 171.7
[M]+ 307.12030 170.2
[M]- 307.12140 170.2
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.