CID 134816993

Garciosone e

Structural Information

Molecular Formula

C₂₀H₁₆O₆

SMILES

CC1(C=CC2=C(C=C3C(=C2O1)C(=O)C4=C(O3)C5=C(C=C4)OCO5)OC)C

InChI

InChI=1S/C20H16O6/c1-20(2)7-6-10-13(22-3)8-14-15(17(10)26-20)16(21)11-4-5-12-19(18(11)25-14)24-9-23-12/h4-8H,9H2,1-3H3

InChIKey

KRLAKLSHAPDHPM-UHFFFAOYSA-N

Compound name

20-methoxy-16,16-dimethyl-2,5,7,15-tetraoxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(21),3(11),4(8),9,13,17,19-heptaen-12-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 352.0947 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

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]+	353.101976	177.4
[M+Na]+	375.083918	190.9
[M-H]-	351.087424	188.8
[M+NH4]+	370.128523	193.4
[M+K]+	391.057858	191.5
[M+H-H2O]+	335.091960	170.4
[M+HCOO]-	397.092901	193.4
[M+CH3COO]-	411.108551	190.8
[M+Na-2H]-	373.069366	186.4
[M]+	352.09415142	188.1
[M]-	352.09524858	188.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.