CID 5013064

85313-89-9

Structural Information

Molecular Formula

C₁₉H₁₆O₄

SMILES

COC1=CC=CC2=C1C(=O)C3=C(C2=O)C=CC(=C3OC)CC=C

InChI

InChI=1S/C19H16O4/c1-4-6-11-9-10-13-16(19(11)23-3)18(21)15-12(17(13)20)7-5-8-14(15)22-2/h4-5,7-10H,1,6H2,2-3H3

InChIKey

CUOACMDJIPKRBT-UHFFFAOYSA-N

Compound name

1,8-dimethoxy-2-prop-2-enylanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 308.10486 Da
Monoisotopic Mass: 3.9
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]+	309.112136	167.9
[M+Na]+	331.094078	178.5
[M-H]-	307.097584	173.9
[M+NH4]+	326.138683	185.5
[M+K]+	347.068018	173.9
[M+H-H2O]+	291.102120	160.6
[M+HCOO]-	353.103061	188.3
[M+CH3COO]-	367.118711	210.1
[M+Na-2H]-	329.079526	172.1
[M]+	308.10431142	173.2
[M]-	308.10540858	173.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.