CID 6682

1-amino-2,4-dihydroxyanthraquinone

Structural Information

Molecular Formula
C14H9NO4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)N
InChI
InChI=1S/C14H9NO4/c15-12-9(17)5-8(16)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,16-17H,15H2
InChIKey
QUXBARPXUAPKDG-UHFFFAOYSA-N
Compound name
1-amino-2,4-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

255.05316 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06044 152.8
[M+Na]+ 278.04238 166.6
[M+NH4]+ 273.08698 160.6
[M+K]+ 294.01632 160.8
[M-H]- 254.04588 155.2
[M+Na-2H]- 276.02783 157.1
[M]+ 255.05261 155.3
[M]- 255.05371 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe