CID 3085855

72829-37-9

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CN(C)C1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)N
InChI
InChI=1S/C16H14N2O4/c1-18(2)8-4-6-10(20)14-12(8)16(22)13-9(19)5-3-7(17)11(13)15(14)21/h3-6,19-20H,17H2,1-2H3
InChIKey
CXGKWAGMKSPJMF-UHFFFAOYSA-N
Compound name
1-amino-5-(dimethylamino)-4,8-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.102646 164.6
[M+Na]+ 321.084588 174.6
[M-H]- 297.088094 169.5
[M+NH4]+ 316.129193 181.2
[M+K]+ 337.058528 171.1
[M+H-H2O]+ 281.092630 158.0
[M+HCOO]- 343.093571 184.7
[M+CH3COO]- 357.109221 212.0
[M+Na-2H]- 319.070036 168.0
[M]+ 298.09482142 165.5
[M]- 298.09591858 165.5
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.