CID 13906822

4-amino-1-hydroxy-2-phenoxyanthraquinone

Structural Information

Molecular Formula
C20H13NO4
SMILES
C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)N)C(=O)C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C20H13NO4/c21-14-10-15(25-11-6-2-1-3-7-11)20(24)17-16(14)18(22)12-8-4-5-9-13(12)19(17)23/h1-10,24H,21H2
InChIKey
YUTGHDCQYGHVNW-UHFFFAOYSA-N
Compound name
4-amino-1-hydroxy-2-phenoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

331.08447 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.091746 174.3
[M+Na]+ 354.073688 184.0
[M-H]- 330.077194 181.8
[M+NH4]+ 349.118293 188.9
[M+K]+ 370.047628 178.4
[M+H-H2O]+ 314.081730 165.6
[M+HCOO]- 376.082671 194.3
[M+CH3COO]- 390.098321 185.5
[M+Na-2H]- 352.059136 179.3
[M]+ 331.08392142 174.6
[M]- 331.08501858 174.6
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