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
2
Annotation Hits

0
References

110
Patents

313.09503 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10231 167.9
[M+Na]+ 336.08425 177.5
[M-H]- 312.08775 172.2
[M+NH4]+ 331.12885 183.9
[M+K]+ 352.05819 173.7
[M+H-H2O]+ 296.09229 160.7
[M+HCOO]- 358.09323 187.8
[M+CH3COO]- 372.10888 209.5
[M+Na-2H]- 334.06970 172.3
[M]+ 313.09448 171.3
[M]- 313.09558 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