PubChemLite - Artomunoxanthentrione (C26H20O7)

Structural Information

Molecular Formula

SMILES

CC(=C)C1=C2C(=C3C(=C1)C(=O)C4=C(O3)C5=C(C=C4O)OC(C=C5)(C)C)C(=O)C=C(C2=O)OC

InChI

InChI=1S/C26H20O7/c1-11(2)13-8-14-22(29)21-16(28)9-17-12(6-7-26(3,4)33-17)24(21)32-25(14)20-15(27)10-18(31-5)23(30)19(13)20/h6-10,28H,1H2,2-5H3

InChIKey

HYOUKKTWDGSFHB-UHFFFAOYSA-N

Compound name

11-hydroxy-19-methoxy-7,7-dimethyl-16-prop-1-en-2-yl-2,8-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(22),3(12),4(9),5,10,14,16,19-octaene-13,18,21-trione

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]+	445.12818	203.4
[M+Na]+	467.11012	216.1
[M-H]-	443.11362	212.0
[M+NH4]+	462.15472	215.6
[M+K]+	483.08406	214.2
[M+H-H2O]+	427.11816	193.4
[M+HCOO]-	489.11910	215.7
[M+CH3COO]-	503.13475	213.8
[M+Na-2H]-	465.09557	207.7
[M]+	444.12035	212.4
[M]-	444.12145	212.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.12818

203.4

[M+Na]+

467.11012

216.1

[M-H]-

443.11362

212.0

[M+NH4]+

462.15472

215.6

[M+K]+

483.08406

214.2

[M+H-H2O]+

427.11816

193.4

[M+HCOO]-

489.11910

215.7

[M+CH3COO]-

503.13475

213.8

[M+Na-2H]-

465.09557

207.7

[M]+

444.12035

212.4

[M]-

444.12145

212.4

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

Artomunoxanthentrione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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