CID 5943361

487022-90-2

Structural Information

Molecular Formula
C31H31N3O7
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=C(C=C5)[N+](=O)[O-])/O
InChI
InChI=1S/C31H31N3O7/c1-21-19-25(41-20-22-5-3-2-4-6-22)11-12-26(21)29(35)27-28(23-7-9-24(10-8-23)34(38)39)33(31(37)30(27)36)14-13-32-15-17-40-18-16-32/h2-12,19,28,35H,13-18,20H2,1H3/b29-27+
InChIKey
MZRSERXSBSLSQY-ORIPQNMZSA-N
Compound name
(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.2162 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.22348 233.4
[M+Na]+ 580.20542 246.0
[M+NH4]+ 575.25002 236.6
[M+K]+ 596.17936 244.1
[M-H]- 556.20892 242.1
[M+Na-2H]- 578.19087 238.9
[M]+ 557.21565 237.2
[M]- 557.21675 237.2
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.