CID 54693701

54535-26-1

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₆

SMILES

C1CCC(CC1)N2C(=O)C(=C(C2=O)O)C3=C(C(=O)N(C3=O)C4CCCCC4)O

InChI

InChI=1S/C20H24N2O6/c23-15-13(17(25)21(19(15)27)11-7-3-1-4-8-11)14-16(24)20(28)22(18(14)26)12-9-5-2-6-10-12/h11-12,23-24H,1-10H2

InChIKey

PLIDOYUQZUATGG-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-(1-cyclohexyl-4-hydroxy-2,5-dioxopyrrol-3-yl)-4-hydroxypyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 388.16342 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	389.170696	190.9
[M+Na]+	411.152638	195.3
[M-H]-	387.156144	198.3
[M+NH4]+	406.197243	201.2
[M+K]+	427.126578	190.7
[M+H-H2O]+	371.160680	183.0
[M+HCOO]-	433.161621	201.8
[M+CH3COO]-	447.177271	215.9
[M+Na-2H]-	409.138086	181.6
[M]+	388.16287142	183.7
[M]-	388.16396858	183.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.