CID 67351

145-49-3

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)O)O
InChI
InChI=1S/C14H10N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,17-18H,15-16H2
InChIKey
HSYLKWSCFRLSKB-UHFFFAOYSA-N
Compound name
1,5-diamino-4,8-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

582
Patents

270.06406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 157.1
[M+Na]+ 293.05328 169.6
[M+NH4]+ 288.09788 164.1
[M+K]+ 309.02722 164.6
[M-H]- 269.05678 159.6
[M+Na-2H]- 291.03873 160.3
[M]+ 270.06351 159.3
[M]- 270.06461 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

literature stripe

Patent stripe

patents stripe