PubChemLite - Fluorescein diacetate 5-maleimide (C28H17NO9)

Structural Information

Molecular Formula

SMILES

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)N5C(=O)C=CC5=O)C(=O)O3)C6=C(O2)C=C(C=C6)OC(=O)C

InChI

InChI=1S/C28H17NO9/c1-14(30)35-17-4-7-21-23(12-17)37-24-13-18(36-15(2)31)5-8-22(24)28(21)20-6-3-16(11-19(20)27(34)38-28)29-25(32)9-10-26(29)33/h3-13H,1-2H3

InChIKey

WZBJWHQRQDEKOF-UHFFFAOYSA-N

Compound name

[6'-acetyloxy-5-(2,5-dioxopyrrol-1-yl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate

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]+	512.09761	214.7
[M+Na]+	534.07955	224.1
[M-H]-	510.08305	227.5
[M+NH4]+	529.12415	225.0
[M+K]+	550.05349	223.5
[M+H-H2O]+	494.08759	207.0
[M+HCOO]-	556.08853	228.0
[M+CH3COO]-	570.10418	224.2
[M+Na-2H]-	532.06500	213.7
[M]+	511.08978	223.0
[M]-	511.09088	223.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.09761

214.7

[M+Na]+

534.07955

224.1

[M-H]-

510.08305

227.5

[M+NH4]+

529.12415

225.0

[M+K]+

550.05349

223.5

[M+H-H2O]+

494.08759

207.0

[M+HCOO]-

556.08853

228.0

[M+CH3COO]-

570.10418

224.2

[M+Na-2H]-

532.06500

213.7

[M]+

511.08978

223.0

[M]-

511.09088

223.0

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

Fluorescein diacetate 5-maleimide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe