CID 3022337

4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol

Structural Information

Molecular Formula
C14H14N2O4
SMILES
C1=CC(=C2C(C3=C(C=CC(=C3C(C2=C1N)O)O)N)O)O
InChI
InChI=1S/C14H14N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,13-14,17-20H,15-16H2
InChIKey
NABHKBGZIKOEJG-UHFFFAOYSA-N
Compound name
4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09537 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.102646 159.0
[M+Na]+ 297.084588 168.5
[M-H]- 273.088094 159.6
[M+NH4]+ 292.129193 174.5
[M+K]+ 313.058528 163.4
[M+H-H2O]+ 257.092630 153.5
[M+HCOO]- 319.093571 175.2
[M+CH3COO]- 333.109221 200.0
[M+Na-2H]- 295.070036 162.3
[M]+ 274.09482142 155.1
[M]- 274.09591858 155.1
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.