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]+ 467.192516 210.1
[M+Na]+ 489.174458 211.0
[M-H]- 465.177964 215.6
[M+NH4]+ 484.219063 212.3
[M+K]+ 505.148398 201.0
[M+H-H2O]+ 449.182500 202.8
[M+HCOO]- 511.183441 221.1
[M+CH3COO]- 525.199091 223.8
[M+Na-2H]- 487.159906 207.4
[M]+ 466.18469142 202.3
[M]- 466.18578858 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.