PubChemLite - Fluorescein-maleimide (C27H19N3O7S)

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C=C1NC(=S)NCCN3C(=O)C=CC3=O)C(=O)OC24C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O

InChI

InChI=1S/C27H19N3O7S/c31-15-2-5-19-21(12-15)36-22-13-16(32)3-6-20(22)27(19)18-4-1-14(11-17(18)25(35)37-27)29-26(38)28-9-10-30-23(33)7-8-24(30)34/h1-8,11-13,31-32H,9-10H2,(H2,28,29,38)

InChIKey

WMHCVBWDCIFFOB-UHFFFAOYSA-N

Compound name

1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[2-(2,5-dioxopyrrol-1-yl)ethyl]thiourea

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]+	530.10164	217.1
[M+Na]+	552.08358	225.4
[M-H]-	528.08708	226.8
[M+NH4]+	547.12818	226.1
[M+K]+	568.05752	222.2
[M+H-H2O]+	512.09162	211.4
[M+HCOO]-	574.09256	226.7
[M+CH3COO]-	588.10821	224.8
[M+Na-2H]-	550.06903	219.1
[M]+	529.09381	222.7
[M]-	529.09491	222.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

530.10164

217.1

[M+Na]+

552.08358

225.4

[M-H]-

528.08708

226.8

[M+NH4]+

547.12818

226.1

[M+K]+

568.05752

222.2

[M+H-H2O]+

512.09162

211.4

[M+HCOO]-

574.09256

226.7

[M+CH3COO]-

588.10821

224.8

[M+Na-2H]-

550.06903

219.1

[M]+

529.09381

222.7

[M]-

529.09491

222.7

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

Fluorescein-maleimide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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