CID 87341

9,10-anthracenedione, 1-amino-4-hydroxy-2-(2-hydroxyethoxy)-

Structural Information

Molecular Formula
C16H13NO5
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OCCO)N
InChI
InChI=1S/C16H13NO5/c17-14-11(22-6-5-18)7-10(19)12-13(14)16(21)9-4-2-1-3-8(9)15(12)20/h1-4,7,18-19H,5-6,17H2
InChIKey
YNSMMVQJQULRFZ-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-(2-hydroxyethoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

55
Patents

299.07938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.086656 163.5
[M+Na]+ 322.068598 173.2
[M-H]- 298.072104 166.6
[M+NH4]+ 317.113203 179.4
[M+K]+ 338.042538 168.7
[M+H-H2O]+ 282.076640 156.8
[M+HCOO]- 344.077581 182.3
[M+CH3COO]- 358.093231 204.4
[M+Na-2H]- 320.054046 168.1
[M]+ 299.07883142 164.8
[M]- 299.07992858 164.8
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