CID 344329

6,11-dihydroxy-5,12-naphthacenedione

Structural Information

Molecular Formula
C18H10O4
SMILES
C1=CC=C2C(=C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C18H10O4/c19-15-9-5-1-2-6-10(9)16(20)14-13(15)17(21)11-7-3-4-8-12(11)18(14)22/h1-8,19-20H
InChIKey
QECAURYYBPUIFF-UHFFFAOYSA-N
Compound name
6,11-dihydroxytetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

50
Patents

290.05792 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06520 160.9
[M+Na]+ 313.04714 171.9
[M-H]- 289.05064 165.6
[M+NH4]+ 308.09174 178.5
[M+K]+ 329.02108 166.0
[M+H-H2O]+ 273.05518 153.9
[M+HCOO]- 335.05612 178.0
[M+CH3COO]- 349.07177 172.9
[M+Na-2H]- 311.03259 167.8
[M]+ 290.05737 161.7
[M]- 290.05847 161.7
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