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

0
Patents

331.08447 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09175 174.3
[M+Na]+ 354.07369 184.0
[M-H]- 330.07719 181.8
[M+NH4]+ 349.11829 188.9
[M+K]+ 370.04763 178.4
[M+H-H2O]+ 314.08173 165.6
[M+HCOO]- 376.08267 194.3
[M+CH3COO]- 390.09832 185.5
[M+Na-2H]- 352.05914 179.3
[M]+ 331.08392 174.6
[M]- 331.08502 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