CID 16205060

31651-04-4

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)N)O)O)N
InChI
InChI=1S/C14H10N2O4/c15-6-3-4-8(17)11-10(6)14(20)9-5(12(11)18)1-2-7(16)13(9)19/h1-4,17,19H,15-16H2
InChIKey
LKQHERLUEBGWGF-UHFFFAOYSA-N
Compound name
2,8-diamino-1,5-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.06406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.071336 156.4
[M+Na]+ 293.053278 167.3
[M-H]- 269.056784 159.8
[M+NH4]+ 288.097883 173.3
[M+K]+ 309.027218 162.5
[M+H-H2O]+ 253.061320 150.4
[M+HCOO]- 315.062261 176.1
[M+CH3COO]- 329.077911 202.6
[M+Na-2H]- 291.038726 160.6
[M]+ 270.06351142 154.6
[M]- 270.06460858 154.6
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.