CID 5733492

432008-17-8

Structural Information

Molecular Formula
C24H26N4O6
SMILES
COC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN3CCNCC3)C4=CC(=CC=C4)[N+](=O)[O-])/O
InChI
InChI=1S/C24H26N4O6/c1-34-19-7-5-16(6-8-19)22(29)20-21(17-3-2-4-18(15-17)28(32)33)27(24(31)23(20)30)14-13-26-11-9-25-10-12-26/h2-8,15,21,25,29H,9-14H2,1H3/b22-20+
InChIKey
LUJWZXQMGQCMST-LSDHQDQOSA-N
Compound name
(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(3-nitrophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.18524 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.19252 210.1
[M+Na]+ 489.17446 211.0
[M-H]- 465.17796 215.6
[M+NH4]+ 484.21906 212.3
[M+K]+ 505.14840 201.0
[M+H-H2O]+ 449.18250 202.8
[M+HCOO]- 511.18344 221.1
[M+CH3COO]- 525.19909 223.8
[M+Na-2H]- 487.15991 207.4
[M]+ 466.18469 202.3
[M]- 466.18579 202.3
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.