CID 458836

1,4-dihydroxy-6,7-bis(2-hydroxyethylamino)anthracene-9,10-dione

Structural Information

Molecular Formula
C18H18N2O6
SMILES
C1=CC(=C2C(=C1O)C(=O)C3=CC(=C(C=C3C2=O)NCCO)NCCO)O
InChI
InChI=1S/C18H18N2O6/c21-5-3-19-11-7-9-10(8-12(11)20-4-6-22)18(26)16-14(24)2-1-13(23)15(16)17(9)25/h1-2,7-8,19-24H,3-6H2
InChIKey
HUJMBRYURZJVED-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-6,7-bis(2-hydroxyethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1165 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12378 177.3
[M+Na]+ 381.10572 184.7
[M-H]- 357.10922 177.9
[M+NH4]+ 376.15032 189.3
[M+K]+ 397.07966 180.0
[M+H-H2O]+ 341.11376 170.3
[M+HCOO]- 403.11470 194.0
[M+CH3COO]- 417.13035 216.3
[M+Na-2H]- 379.09117 181.2
[M]+ 358.11595 178.0
[M]- 358.11705 178.0
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.