CID 16205948

94086-86-9

Structural Information

Molecular Formula
C15H13N3O3
SMILES
CNC1=C2C(=C(C=C1)N)C(=O)C3=C(C=CC(=C3C2=O)N)O
InChI
InChI=1S/C15H13N3O3/c1-18-8-4-2-6(16)10-12(8)14(20)11-7(17)3-5-9(19)13(11)15(10)21/h2-5,18-19H,16-17H2,1H3
InChIKey
GILFHASBSONWCJ-UHFFFAOYSA-N
Compound name
1,5-diamino-4-hydroxy-8-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0957 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.102976 161.2
[M+Na]+ 306.084918 171.3
[M-H]- 282.088424 165.6
[M+NH4]+ 301.129523 177.9
[M+K]+ 322.058858 166.5
[M+H-H2O]+ 266.092960 154.6
[M+HCOO]- 328.093901 182.8
[M+CH3COO]- 342.109551 210.8
[M+Na-2H]- 304.070366 165.6
[M]+ 283.09515142 159.3
[M]- 283.09624858 159.3
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

No patent data available for this compound.