CID 3085736

72175-36-1

Structural Information

Molecular Formula

C₁₉H₁₈O₅

SMILES

COCCOCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H18O5/c1-22-8-9-23-10-11-24-13-6-7-16-17(12-13)19(21)15-5-3-2-4-14(15)18(16)20/h2-7,12H,8-11H2,1H3

InChIKey

PPQCMDJFLCLHOW-UHFFFAOYSA-N

Compound name

2-[2-(2-methoxyethoxy)ethoxy]anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 326.11542 Da
Monoisotopic Mass: 2.5
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]+	327.122696	172.7
[M+Na]+	349.104638	181.0
[M-H]-	325.108144	177.9
[M+NH4]+	344.149243	188.9
[M+K]+	365.078578	177.5
[M+H-H2O]+	309.112680	164.6
[M+HCOO]-	371.113621	193.2
[M+CH3COO]-	385.129271	210.4
[M+Na-2H]-	347.090086	178.3
[M]+	326.11487142	179.3
[M]-	326.11596858	179.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe