PubChemLite - 150206-05-6 (C29H19NO11)

Structural Information

Molecular Formula

SMILES

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)ON5C(=O)CCC5=O)C(=O)O3)C6=C(O2)C=C(C=C6)OC(=O)C

InChI

InChI=1S/C29H19NO11/c1-14(31)37-17-4-7-21-23(12-17)39-24-13-18(38-15(2)32)5-8-22(24)29(21)20-6-3-16(11-19(20)28(36)40-29)27(35)41-30-25(33)9-10-26(30)34/h3-8,11-13H,9-10H2,1-2H3

InChIKey

SRSXVRUMXPCNAJ-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 3',6'-diacetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate

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]+	558.10308	221.1
[M+Na]+	580.08502	231.7
[M+NH4]+	575.12962	225.3
[M+K]+	596.05896	231.2
[M-H]-	556.08852	224.9
[M+Na-2H]-	578.07047	221.5
[M]+	557.09525	223.4
[M]-	557.09635	223.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

558.10308

221.1

[M+Na]+

580.08502

231.7

[M+NH4]+

575.12962

225.3

[M+K]+

596.05896

231.2

[M-H]-

556.08852

224.9

[M+Na-2H]-

578.07047

221.5

[M]+

557.09525

223.4

[M]-

557.09635

223.4

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

150206-05-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe