CID 87342

Disperse red 59

Structural Information

Molecular Formula
C17H15NO5
SMILES
COCCOC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C17H15NO5/c1-22-6-7-23-12-8-11(19)13-14(15(12)18)17(21)10-5-3-2-4-9(10)16(13)20/h2-5,8,19H,6-7,18H2,1H3
InChIKey
DVCMHLZPRDGHKK-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-(2-methoxyethoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

140
Patents

313.09503 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.102306 167.9
[M+Na]+ 336.084248 177.5
[M-H]- 312.087754 172.2
[M+NH4]+ 331.128853 183.9
[M+K]+ 352.058188 173.7
[M+H-H2O]+ 296.092290 160.7
[M+HCOO]- 358.093231 187.8
[M+CH3COO]- 372.108881 209.5
[M+Na-2H]- 334.069696 172.3
[M]+ 313.09448142 171.3
[M]- 313.09557858 171.3
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

patents stripe