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
2
Annotation Hits

0
References

33
Patents

299.07938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08666 163.5
[M+Na]+ 322.06860 173.2
[M-H]- 298.07210 166.6
[M+NH4]+ 317.11320 179.4
[M+K]+ 338.04254 168.7
[M+H-H2O]+ 282.07664 156.8
[M+HCOO]- 344.07758 182.3
[M+CH3COO]- 358.09323 204.4
[M+Na-2H]- 320.05405 168.1
[M]+ 299.07883 164.8
[M]- 299.07993 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