CID 11098600

Evariquinone

Structural Information

Molecular Formula

C₁₆H₁₂O₆

SMILES

CC1=CC2=C(C(=C1)OC)C(=O)C3=C(C(=C(C=C3C2=O)O)O)O

InChI

InChI=1S/C16H12O6/c1-6-3-7-11(10(4-6)22-2)15(20)12-8(13(7)18)5-9(17)14(19)16(12)21/h3-5,17,19,21H,1-2H3

InChIKey

DCNMIRIWFDFXKU-UHFFFAOYSA-N

Compound name

1,2,3-trihydroxy-8-methoxy-6-methylanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 300.0634 Da
Monoisotopic Mass: 2.7
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]+	301.07068	162.1
[M+Na]+	323.05262	173.7
[M-H]-	299.05612	165.3
[M+NH4]+	318.09722	178.4
[M+K]+	339.02656	169.8
[M+H-H2O]+	283.06066	156.3
[M+HCOO]-	345.06160	179.0
[M+CH3COO]-	359.07725	202.6
[M+Na-2H]-	321.03807	165.6
[M]+	300.06285	165.7
[M]-	300.06395	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe