CID 87728

18622-13-4

Structural Information

Molecular Formula
C20H13NO5
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4=CC=C(C=C4)O)N
InChI
InChI=1S/C20H13NO5/c21-18-15(26-11-7-5-10(22)6-8-11)9-14(23)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2
InChIKey
JBUBYUZDOUATKW-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-(4-hydroxyphenoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

347.07938 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08666 177.6
[M+Na]+ 370.06860 187.4
[M-H]- 346.07210 184.1
[M+NH4]+ 365.11320 191.0
[M+K]+ 386.04254 182.1
[M+H-H2O]+ 330.07664 169.2
[M+HCOO]- 392.07758 196.1
[M+CH3COO]- 406.09323 188.3
[M+Na-2H]- 368.05405 181.6
[M]+ 347.07883 178.0
[M]- 347.07993 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

patents stripe