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

34
Patents

255.05316 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.060436 151.6
[M+Na]+ 278.042378 162.6
[M-H]- 254.045884 155.3
[M+NH4]+ 273.086983 169.5
[M+K]+ 294.016318 157.7
[M+H-H2O]+ 238.050420 145.8
[M+HCOO]- 300.051361 171.0
[M+CH3COO]- 314.067011 196.1
[M+Na-2H]- 276.027826 157.1
[M]+ 255.05261142 151.0
[M]- 255.05370858 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