PubChemLite - 5-maleimidoeosin (C24H9Br4NO7)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1N2C(=O)C=CC2=O)C(=O)O)C3=C4C=C(C(=O)C(=C4OC5=C(C(=C(C=C35)Br)O)Br)Br)Br

InChI

InChI=1S/C24H9Br4NO7/c25-13-6-11-17(9-2-1-8(5-10(9)24(34)35)29-15(30)3-4-16(29)31)12-7-14(26)21(33)19(28)23(12)36-22(11)18(27)20(13)32/h1-7,32H,(H,34,35)

InChIKey

HHXBZYYFXVVANX-UHFFFAOYSA-N

Compound name

5-(2,5-dioxopyrrol-1-yl)-2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Related CIDs

2D Structure

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]+	739.71852	179.8
[M+Na]+	761.70046	174.7
[M+NH4]+	756.74506	180.1
[M+K]+	777.67440	180.5
[M-H]-	737.70396	181.7
[M+Na-2H]-	759.68591	179.7
[M]+	738.71069	180.0
[M]-	738.71179	180.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

739.71852

179.8

[M+Na]+

761.70046

174.7

[M+NH4]+

756.74506

180.1

[M+K]+

777.67440

180.5

[M-H]-

737.70396

181.7

[M+Na-2H]-

759.68591

179.7

[M]+

738.71069

180.0

[M]-

738.71179

180.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

5-maleimidoeosin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe