CID 22952

1,5-dimethoxyanthrachinon

Structural Information

Molecular Formula
C16H12O4
SMILES
COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)OC
InChI
InChI=1S/C16H12O4/c1-19-11-7-3-5-9-13(11)15(17)10-6-4-8-12(20-2)14(10)16(9)18/h3-8H,1-2H3
InChIKey
PEUAYWBFWSCPHA-UHFFFAOYSA-N
Compound name
1,5-dimethoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

70
Patents

268.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.080826 155.4
[M+Na]+ 291.062768 166.3
[M-H]- 267.066274 161.7
[M+NH4]+ 286.107373 174.5
[M+K]+ 307.036708 162.8
[M+H-H2O]+ 251.070810 148.5
[M+HCOO]- 313.071751 176.9
[M+CH3COO]- 327.087401 200.6
[M+Na-2H]- 289.048216 162.0
[M]+ 268.07300142 160.1
[M]- 268.07409858 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe