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
2
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 151.6
[M+Na]+ 278.04238 162.6
[M-H]- 254.04588 155.3
[M+NH4]+ 273.08698 169.5
[M+K]+ 294.01632 157.7
[M+H-H2O]+ 238.05042 145.8
[M+HCOO]- 300.05136 171.0
[M+CH3COO]- 314.06701 196.1
[M+Na-2H]- 276.02783 157.1
[M]+ 255.05261 151.0
[M]- 255.05371 151.0
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