CID 5348959

4-hydroxy-2-(3-nitrophenyl)-1-phenyl-3-[(e)-3-phenylprop-2-enoyl]-2h-pyrrol-5-one

Structural Information

Molecular Formula
C25H18N2O5
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)O
InChI
InChI=1S/C25H18N2O5/c28-21(15-14-17-8-3-1-4-9-17)22-23(18-10-7-13-20(16-18)27(31)32)26(25(30)24(22)29)19-11-5-2-6-12-19/h1-16,23,29H/b15-14+
InChIKey
RQDPDDWHELXZBW-CCEZHUSRSA-N
Compound name
4-hydroxy-2-(3-nitrophenyl)-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.12158 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.12886 202.4
[M+Na]+ 449.11080 206.7
[M-H]- 425.11430 212.7
[M+NH4]+ 444.15540 209.6
[M+K]+ 465.08474 196.3
[M+H-H2O]+ 409.11884 195.9
[M+HCOO]- 471.11978 222.5
[M+CH3COO]- 485.13543 218.5
[M+Na-2H]- 447.09625 202.5
[M]+ 426.12103 199.5
[M]- 426.12213 199.5
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.