CID 5780067

Eu-0051365

Structural Information

Molecular Formula
C23H16N2O5
SMILES
C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])/O
InChI
InChI=1S/C23H16N2O5/c26-21(15-8-3-1-4-9-15)19-20(16-10-7-13-18(14-16)25(29)30)24(23(28)22(19)27)17-11-5-2-6-12-17/h1-14,20,26H/b21-19+
InChIKey
PEKIGJNGQCCZOM-XUTLUUPISA-N
Compound name
(4E)-4-[hydroxy(phenyl)methylidene]-5-(3-nitrophenyl)-1-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.10593 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11321 193.9
[M+Na]+ 423.09515 198.3
[M-H]- 399.09865 204.3
[M+NH4]+ 418.13975 202.2
[M+K]+ 439.06909 188.3
[M+H-H2O]+ 383.10319 187.9
[M+HCOO]- 445.10413 213.4
[M+CH3COO]- 459.11978 213.0
[M+Na-2H]- 421.08060 194.2
[M]+ 400.10538 189.1
[M]- 400.10648 189.1
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.