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]+ 308.128126 171.8
[M+Na]+ 330.110068 179.3
[M-H]- 306.113574 179.1
[M+NH4]+ 325.154673 186.2
[M+K]+ 346.084008 173.2
[M+H-H2O]+ 290.118110 163.2
[M+HCOO]- 352.119051 192.1
[M+CH3COO]- 366.134701 201.4
[M+Na-2H]- 328.095516 171.7
[M]+ 307.12030142 170.2
[M]- 307.12139858 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.