PubChemLite - Artomunoxanthone (C26H24O7)

Structural Information

Molecular Formula

SMILES

CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)OC)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O

InChI

InChI=1S/C26H24O7/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/h6-7,9-10,13,27-28,30H,1,8H2,2-5H3

InChIKey

JBNMCXJOVKMBOP-UHFFFAOYSA-N

Compound name

11,18,21-trihydroxy-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(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one

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]+	449.15948	207.3
[M+Na]+	471.14142	217.8
[M-H]-	447.14492	212.8
[M+NH4]+	466.18602	218.2
[M+K]+	487.11536	215.7
[M+H-H2O]+	431.14946	198.2
[M+HCOO]-	493.15040	214.9
[M+CH3COO]-	507.16605	215.8
[M+Na-2H]-	469.12687	210.1
[M]+	448.15165	213.1
[M]-	448.15275	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.15948

207.3

[M+Na]+

471.14142

217.8

[M-H]-

447.14492

212.8

[M+NH4]+

466.18602

218.2

[M+K]+

487.11536

215.7

[M+H-H2O]+

431.14946

198.2

[M+HCOO]-

493.15040

214.9

[M+CH3COO]-

507.16605

215.8

[M+Na-2H]-

469.12687

210.1

[M]+

448.15165

213.1

[M]-

448.15275

213.1

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

Artomunoxanthone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe