CID 361511

1,3-dimethoxyanthraquinone

Structural Information

Molecular Formula
C16H12O4
SMILES
COC1=CC2=C(C(=C1)OC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12O4/c1-19-9-7-12-14(13(8-9)20-2)16(18)11-6-4-3-5-10(11)15(12)17/h3-8H,1-2H3
InChIKey
ILRJFVJXKPFIAB-UHFFFAOYSA-N
Compound name
1,3-dimethoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

268.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 155.4
[M+Na]+ 291.06277 166.3
[M-H]- 267.06627 161.7
[M+NH4]+ 286.10737 174.5
[M+K]+ 307.03671 162.8
[M+H-H2O]+ 251.07081 148.5
[M+HCOO]- 313.07175 176.9
[M+CH3COO]- 327.08740 200.6
[M+Na-2H]- 289.04822 162.0
[M]+ 268.07300 160.1
[M]- 268.07410 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